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2-(Benzoylsulfanyl)cyclopentanecarboxylic acid
SpectraBase Compound ID 6NknGkB9UJi
InChI InChI=1S/C13H14O3S/c14-12(15)10-7-4-8-11(10)17-13(16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)/t10-,11-/m0/s1
InChIKey AIFPEAAIIWMBNU-QWRGUYRKSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLDMgpWp2cn
Name 2-(Benzoylsulfanyl)cyclopentanecarboxylic acid
CAS Registry Number 99397-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c14-12(15)10-7-4-8-11(10)17-13(16)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,14,15)/t10-,11-/m0/s1
InChIKey AIFPEAAIIWMBNU-QWRGUYRKSA-N
Molecular Weight 250.312 g/mol
SMILES OC([C@@]1([C@@](SC(c2ccccc2)=O)(CCC1)[H])[H])=O
SPLASH splash10-0a4i-9800000000-97c6249f2ae405e30186
Source of Spectrum AD-0-2532-0
Synonyms (1R,2S)-2-(benzoylthio)-1-cyclopentanecarboxylic acid (1R,2S)-2-(benzoylthio)cyclopentanecarboxylic acid (1R,2S)-2-(phenylcarbonylsulfanyl)cyclopentane-1-carboxylic acid (1R,2S)-2-benzoylsulfanylcyclopentane-1-carboxylic acid cis-Cyclopentanecarboxylic acid, 2-benzoylthio-
Wiley ID 1430173