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2-Thiophenecarboxylic acid methyl ester

View entire compound with spectra: 24 NMR, and 12 MS (GC)

2-Thiophenecarboxylic acid methyl ester
SpectraBase Compound ID BBlvcaoroaZ
InChI InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey PGBFYLVIMDQYMS-UHFFFAOYSA-N
Mol Weight 142.17 g/mol
Molecular Formula C6H6O2S
Exact Mass 142.008851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kxPfQYv7Cg
Name 2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 142.008850605 u
Formula C6H6O2S
InChI InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey PGBFYLVIMDQYMS-UHFFFAOYSA-N
Molecular Weight 142.172 g/mol
Nominal Mass 142 u
Number of Peaks 55
SMILES c1ccsc1C(OC)=O
SPLASH splash10-03di-7900000000-17f38e77c12c7e750520
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000960