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4-[2-Hydroxyethyl)thio]benzoic acid

View entire compound with spectra: 2 MS (GC)

4-[2-Hydroxyethyl)thio]benzoic acid
SpectraBase Compound ID 4I1m5BrdiTA
InChI InChI=1S/C9H10O3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKey NMWAITMVPVIPGG-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRKUKMDPvqF
Name 4-[2-Hydroxyethyl)thio]benzoic acid
Alternate Name(s) 4-(2-hydroxyethylsulfanyl)benzoic acid
CAS Registry Number 7184-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O3S
InChI InChI=1S/C9H10O3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChIKey NMWAITMVPVIPGG-UHFFFAOYSA-N
Molecular Weight 198.236 g/mol
SMILES OC(c1ccc(SCCO)cc1)=O
SPLASH splash10-00kb-4900000000-cbbd636898744feec4da
Wiley ID 1483708