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2-(Ethylthio)-3,6-dihydroxybenzoic acid
SpectraBase Compound ID 9DmaYtRZEhh
InChI InChI=1S/C9H10O4S/c1-2-14-8-6(11)4-3-5(10)7(8)9(12)13/h3-4,10-11H,2H2,1H3,(H,12,13)
InChIKey QFTMZRDEUZZBMN-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 E3suEtnwGsw
Name 2-(Ethylthio)-3,6-dihydroxybenzoic acid
Alternate Name(s) 2-Ethylsulfanyl-3,6-dihydroxybenzoic acid 2-Ethylsulfanyl-3,6-dihydroxy-benzoic acid 2-Ethylsulfanyl-3,6-bis(oxidanyl)benzoic acid
CAS Registry Number 92544-17-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4S
InChI InChI=1S/C9H10O4S/c1-2-14-8-6(11)4-3-5(10)7(8)9(12)13/h3-4,10-11H,2H2,1H3,(H,12,13)
InChIKey QFTMZRDEUZZBMN-UHFFFAOYSA-N
Molecular Weight 214.235 g/mol
SMILES Oc1c(c(c(cc1)O)C(=O)O)SCC
SPLASH splash10-00kb-0910000000-8ff3465072d4584c87f7
Source of Spectrum J-49-4737-0
Wiley ID 1213047