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2-Thiophenepropanoic acid, methyl ester

View entire compound with spectra: 5 MS (GC)

2-Thiophenepropanoic acid, methyl ester
SpectraBase Compound ID 3BXrmV3bWPy
InChI InChI=1S/C8H10O2S/c1-10-8(9)5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKey USTRJLXKHMURIF-UHFFFAOYSA-N
Mol Weight 170.23 g/mol
Molecular Formula C8H10O2S
Exact Mass 170.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AettnWlPmur
Name 2-THIOPHENEPROPANOIC ACID, METHYL ESTER
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 170.040150734 u
Formula C8H10O2S
InChI InChI=1S/C8H10O2S/c1-10-8(9)5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKey USTRJLXKHMURIF-UHFFFAOYSA-N
Molecular Weight 170.226 g/mol
Nominal Mass 170 u
Number of Peaks 55
SMILES c1ccsc1CCC(OC)=O
SPLASH splash10-01r2-9400000000-66de66997b754e89a194
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000879