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[4-(Methylsulfonyl)phenyl]acetic acid
SpectraBase Compound ID 22JHg8MCVxQ
InChI InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey HGGWOSYNRVOQJH-UHFFFAOYSA-N
Mol Weight 214.23 g/mol
Molecular Formula C9H10O4S
Exact Mass 214.02998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RFAqeH8ysE
Name [4-(Methylsulfonyl)phenyl]acetic acid
CAS Registry Number 90536-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4S
InChI InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey HGGWOSYNRVOQJH-UHFFFAOYSA-N
Molecular Weight 214.235 g/mol
SMILES OC(Cc1ccc(S(=O)(=O)C)cc1)=O
SPLASH splash10-06tr-9610000000-1911cebb9be0f86acc81
Source of Spectrum AD-0-2532-0
Synonyms 2-(4-mesylphenyl)acetic acid 2-(4-Methylsulfonylphenyl)acetic acid 2-(4-Methylsulfonylphenyl)ethanoic acid Benzenacetic acid, 4-methylsulfonyl-
Wiley ID 1426735