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3,4-Dichlorobenzoic acid, (2-methylsulfanyl-6-phenylpyrimidin-4-yl) ester
SpectraBase Compound ID 7UEQuwp2BIE
InChI InChI=1S/C18H12Cl2N2O2S/c1-25-18-21-15(11-5-3-2-4-6-11)10-16(22-18)24-17(23)12-7-8-13(19)14(20)9-12/h2-10H,1H3
InChIKey ABANATKAMJMRJU-UHFFFAOYSA-N
Mol Weight 391.27 g/mol
Molecular Formula C18H12Cl2N2O2S
Exact Mass 389.999654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnLZgaZs42o
Name 3,4-Dichlorobenzoic acid, (2-methylsulfanyl-6-phenylpyrimidin-4-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12Cl2N2O2S
InChI InChI=1S/C18H12Cl2N2O2S/c1-25-18-21-15(11-5-3-2-4-6-11)10-16(22-18)24-17(23)12-7-8-13(19)14(20)9-12/h2-10H,1H3
InChIKey ABANATKAMJMRJU-UHFFFAOYSA-N
Molecular Weight 391.272 g/mol
SMILES c1ccc(-c2nc(nc(c2)OC(c2cc(Cl)c(cc2)Cl)=O)SC)cc1
SPLASH splash10-0101-3920000000-5af3965459d366a5b43d
Source of Spectrum AD-0-2532-0
Synonyms (2-methylsulfanyl-6-phenyl-pyrimidin-4-yl) 3,4-bis(chloranyl)benzoate (2-methylsulfanyl-6-phenyl-pyrimidin-4-yl) 3,4-dichlorobenzoate 2-(Methylsulfanyl)-6-phenyl-4-pyrimidinyl 3,4-dichlorobenzoate 3,4-Dichlorobenzoic acid [2-(methylthio)-6-phenyl-4-pyrimidinyl] ester (2-methylsulfanyl-6-phenylpyrimidin-4-yl) 3,4-dichlorobenzoate
Wiley ID 1432068