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1,2-Cyclohexanedicarboxylic acid, 4-chloro-5-(phenylthio)-
SpectraBase Compound ID 2TZfU4SpzNO
InChI InChI=1S/C14H15ClO4S/c15-11-6-9(13(16)17)10(14(18)19)7-12(11)20-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2,(H,16,17)(H,18,19)
InChIKey WGJNCUDPFJWBDC-UHFFFAOYSA-N
Mol Weight 314.78 g/mol
Molecular Formula C14H15ClO4S
Exact Mass 314.037958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr3eSqWQl2J
Name 1,2-Cyclohexanedicarboxylic acid, 4-chloro-5-(phenylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15ClO4S
InChI InChI=1S/C14H15ClO4S/c15-11-6-9(13(16)17)10(14(18)19)7-12(11)20-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2,(H,16,17)(H,18,19)
InChIKey WGJNCUDPFJWBDC-UHFFFAOYSA-N
Molecular Weight 314.783 g/mol
SMILES OC(C1C(C(=O)O)CC(C(C1)Cl)Sc1ccccc1)=O
SPLASH splash10-03di-9810000000-c70e27336bdc469b0233
Source of Spectrum IY-2-5140-7
Synonyms 4-Chloro-5-(phenylsulfanyl)cyclohexane-1,2-dicarboxylic acid
Wiley ID 1659390