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2-(isopropylthio)benzoic acid
SpectraBase Compound ID GhbFwj9r13D
InChI InChI=1S/C10H12O2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey CHFNTLOTIFQVGQ-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICfYITW7bdf
Name 2-(isopropylthio)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey CHFNTLOTIFQVGQ-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES OC(c1c(cccc1)SC(C)C)=O
SPLASH splash10-000i-0900000000-5b218b51274093bb07e5
Source of Spectrum KC-0-158-0
Synonyms 2-(isopropylsulfanyl)benzoic acid 2-(propan-2-ylthio)benzoic acid 2-Propan-2-ylsulfanylbenzoic acid
Wiley ID 780437