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2-(Benzylsulfonyl)benzoic acid
SpectraBase Compound ID JbHK0ZhHcnI
InChI InChI=1S/C14H12O4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey GMVRFXQEJYYRMJ-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C14H12O4S
Exact Mass 276.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IASiTgt79uJ
Name 2-(Benzylsulfonyl)benzoic acid
Alternate Name(s) 2-(Phenylmethyl)sulfonylbenzoic acid Benzoic acid, 2-benzylsulfonyl-
CAS Registry Number 13536-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O4S
InChI InChI=1S/C14H12O4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey GMVRFXQEJYYRMJ-UHFFFAOYSA-N
Molecular Weight 276.306 g/mol
SMILES OC(c1c(S(Cc2ccccc2)(=O)=O)cccc1)=O
SPLASH splash10-0006-9200000000-d1bcee14af6610784f85
Wiley ID 1456012