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2-(4-Methylphenyl)sulfanylcyclopentene-1-carboxylic acid
SpectraBase Compound ID KdW2lWRTHqg
InChI InChI=1S/C13H14O2S/c1-9-5-7-10(8-6-9)16-12-4-2-3-11(12)13(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey XSDBFIHQCYKQPS-UHFFFAOYSA-N
Mol Weight 234.31 g/mol
Molecular Formula C13H14O2S
Exact Mass 234.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrBYoIKOc68
Name 2-(4-Methylphenyl)sulfanylcyclopentene-1-carboxylic acid
CAS Registry Number 69952-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2S
InChI InChI=1S/C13H14O2S/c1-9-5-7-10(8-6-9)16-12-4-2-3-11(12)13(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey XSDBFIHQCYKQPS-UHFFFAOYSA-N
Molecular Weight 234.313 g/mol
SMILES OC(C1=C(Sc2ccc(cc2)C)CCC1)=O
SPLASH splash10-0059-0790000000-8922bb607ba2e580fcab
Source of Spectrum Y-16-48-0
Synonyms 2-(p-tolylsulfanyl)cyclopentene-1-carboxylic acid 2-(p-tolylthio)cyclopentene-1-carboxylic acid 2-[(4-methylphenyl)thio]-1-cyclopentenecarboxylic acid
Wiley ID 1235839