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P-TOLUIC ACID, A-MERCAPTO-,
SpectraBase Compound ID 9lHqq29QAUc
InChI InChI=1S/C8H8O2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H,9,10)
InChIKey KCTZYAAHUYSVON-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C8H8O2S
Exact Mass 168.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSi6YlbvA1R
Name 4-(Sulfanylmethyl)benzoic acid
CAS Registry Number 39088-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O2S
InChI InChI=1S/C8H8O2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,11H,5H2,(H,9,10)
InChIKey KCTZYAAHUYSVON-UHFFFAOYSA-N
Molecular Weight 168.210 g/mol
SMILES SCc1ccc(C(O)=O)cc1
SPLASH splash10-000i-6900000000-35c185414ec28e674d36
Source of Spectrum AD-0-2532-0
Synonyms 4-(mercaptomethyl)benzoic acid Benzoic acid, 4-(mercaptomethyl)- EINECS 254-286-9
Wiley ID 1426950