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3-Thiophenecarboxylic acid, 2-(1-hydroxy-1-methylethyl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

3-Thiophenecarboxylic acid, 2-(1-hydroxy-1-methylethyl)-, methyl ester
SpectraBase Compound ID AtlkimDXRSu
InChI InChI=1S/C9H12O3S/c1-9(2,11)7-6(4-5-13-7)8(10)12-3/h4-5,11H,1-3H3
InChIKey PCRHLWAKZXVBMY-UHFFFAOYSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaBWqtBhpOL
Name 3-Thiophenecarboxylic acid, 2-(1-hydroxy-1-methylethyl)-, methyl ester
Alternate Name(s) Methyl 2-(1-hydroxy-1-methylethyl)-3-thiophenecarboxylate Methyl 2-(1-hydroxy-1-methylethyl)thiophen-3-carboxylate
CAS Registry Number 86752-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-9(2,11)7-6(4-5-13-7)8(10)12-3/h4-5,11H,1-3H3
InChIKey PCRHLWAKZXVBMY-UHFFFAOYSA-N
Molecular Weight 200.252 g/mol
SMILES OC(c1c(C(=O)OC)ccs1)(C)C
SPLASH splash10-0w2i-0900000000-f2a384f4c3e40df8b6bf
Source of Spectrum KC-1983-794-0
Wiley ID 1197230