Reference Materials
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Tributyl phosphateCas#: 126-73-8 Compound CID: 31357Formula: C12H27O4P Molecular Weight: 266.32IUPAC Name: tributyl phosphateSMILES: CCCCOP(=O)(OCCCC)OCCCCInChIKey: STCOOQWBFONSKY-UHFFFAOYSA-NInChI: InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3Synonyms: TRIBUTYL PHOSPHATE | Tributilfosfato | tbpa | Tributyle (phosphate de) | Tributylphosphat | Tributylphosphate | Tri-n...
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1-Methoxy-2-propanolCas#: 107-98-2Formula: C4H10O2 Molecular Weight: 90.12IUPAC Name: 1-methoxypropan-2-olSMILES: CC(COC)OInChIKey: ARXJGSRGQADJSQ-UHFFFAOYSA-NInChI: InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3Synonyms: 1-Methoxy-2-hydroxypropane | CAS-107-98-2 | E72455 | FT-0608005 | (+/-)-1-methoxy-2-propanol | (+/-)2-methoxy-1-methy...
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o-AnisidineCas#: 90-04-0 Compound CID: 7000Formula: C7H9NO Molecular Weight: 123.16IUPAC Name: 2-methoxyanilineSMILES: COC1=CC=CC=C1NInChIKey: VMPITZXILSNTON-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-5H,8H2,1H3Synonyms: 2-Methoxyaniline | 2-METHOXY-ANILINE | 2-methoxyphenylamine | 2-Methoxy-phenylamine | o-Methoxyaniline | ORTHO-ANISID...
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FenpyroximateCas#: 134098-61-6 Compound CID: 9576412Formula: C24H27N3O4 Molecular Weight: 421.49IUPAC Name: tert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoateSMILES: CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)CInChIKey: YYJNOYZRYGDPNH-MFKUBSTISA-NInChI: InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+Synonyms: Fenpyroximate|134098-61-6|Fenpyroximate [ISO]|FujiMite|111812-58-9|(E)-Fenpyroximate|FENPYROXYMATE|Fenpyroximate (Z,E...
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ChlorhexidineCas#: 55-56-1 Compound CID: 9552079Formula: C22H30Cl2N10 Molecular Weight: 505.45IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidineSMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)ClInChIKey: GHXZTYHSJHQHIJ-UHFFFAOYSA-NInChI: InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)Synonyms: Clorhexidina | Fimeil | Hibitane (Salt/Mix) | AKOS000266440 | Spectrum5_001322 | Tox21_201404 | Z10Q236C3G | 2,4,11,1...
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Isopropylbenzene standard solutionCas#: 98-82-8 Compound CID: 7406Formula: C9H12 Molecular Weight: 120.19IUPAC Name: cumeneSMILES: CC(C)C1=CC=CC=C1InChIKey: RWGFKTVRMDUZSP-UHFFFAOYSA-NInChI: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3Synonyms: EINECS 202-704-5 | Isopropilbenzene | CUMENE [IARC] | CUMENE [MI] | Benzene, isopropyl | Benzene, isopropyl- | Propan...
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Halosulfuron-methylCas#: 100784-20-1 Compound CID: 91763Formula: C13H15ClN6O7S Molecular Weight: 434.81IUPAC Name: methyl 3-chloro-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylateSMILES: CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OCInChIKey: FMGZEUWROYGLAY-UHFFFAOYSA-NInChI: InChI=1S/C13H15ClN6O7S/c1-20-10(8(9(14)18-20)11(21)27-4)28(23,24)19-13(22)17-12-15-6(25-2)5-7(16-12)26-3/h5H,1-4H3,(H2,15,16,17,19,22)Synonyms: Halosulfuron-methyl|100784-20-1|Battalion|Sempra|Inpool|Sandea|Permit 75WG|MON 12000|Halosulfuron-methyl [ISO:BSI]|NC...
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p-Nitrotoluene StandardCas#: 99-99-0 Compound CID: 7473Formula: C7H7NO2 Molecular Weight: 137.14IUPAC Name: 1-methyl-4-nitrobenzeneSMILES: CC1=CC=C(C=C1)[N+](=O)[O-]InChIKey: ZPTVNYMJQHSSEA-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3Synonyms: 4-NITROTOLUENE|1-Methyl-4-nitrobenzene|99-99-0|p-Nitrotoluene|Benzene, 1-methyl-4-nitro-|4-Nitrotoluol|4-Methylnitrob...
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BuprofezinCas#: 69327-76-0 Compound CID: 50367Formula: C16H23N3OS Molecular Weight: 305.44IUPAC Name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-oneSMILES: CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2InChIKey: PRLVTUNWOQKEAI-UHFFFAOYSA-NInChI: InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3Synonyms: BUPROFEZIN|69327-76-0|Applaud|Buprofenzin|Buprofezine|NNI 750|PP618|(E)-buprofezin|2-((1,1-Dimethylethyl)imino)tetrah...
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PhenolCas#: 108-95-2 Compound CID: 996Formula: C6H6O Molecular Weight: 94.11IUPAC Name: phenolSMILES: C1=CC=C(C=C1)OInChIKey: ISWSIDIOOBJBQZ-UHFFFAOYSA-NInChI: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7HSynonyms: Phenol, liquefied | Phenol,liquified | Hydroxybenzene | PHENOL (EP MONOGRAPH) | PhOH | ENT-1814 | Phenic alcohol | CA...
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Osthole, Channel blocker of TRPV3Cas#: 484-12-8 Compound CID: 10228Formula: C15H16O3 Molecular Weight: 244.29IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-oneSMILES: CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)CInChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-NInChI: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3Synonyms: KBioSS_002022 | NSC 31868 | SDCCGMLS-0066780.P001 | 7-methoxy-8-(3-methylpent-2-enyl)coumarin | A827530 | KBio3_00258...
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HexythiazoxCas#: 78587-05-0 Compound CID: 13218777Formula: C17H21ClN2O2S Molecular Weight: 352.88IUPAC Name: (4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamideSMILES: CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)ClInChIKey: XGWIJUOSCAQSSV-XHDPSFHLSA-NInChI: InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/m0/s1Synonyms: Hexythiazox|78587-05-0|Savey|Acariflor|Nissorun|Cesar|(S,S)-hexythiazox|(4S,5S)-5-(4-chlorophenyl)-N-cyclohexyl-4-met...