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2-Thiophenecarboxylic acid,5-(phenylmethyl)-, methyl ester
SpectraBase Compound ID 3ECEsBHGnLf
InChI InChI=1S/C13H12O2S/c1-15-13(14)12-8-7-11(16-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey JZWVHBUTFCRPFX-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C13H12O2S
Exact Mass 232.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JtEclNxYjH
Name 2-Thiophenecarboxylic acid,5-(phenylmethyl)-, methyl ester
Alternate Name(s) Methyl 5-benzyl-2-thiophenecarboxylate Methyl 5-benzylthiophen-2-carboxylate 5-(Phenylmethyl)-2-thiophenecarboxylic acid methyl ester Methyl 5-benzylthiophene-2-carboxylate Methyl 5-(phenylmethyl)thiophene-2-carboxylate
CAS Registry Number 86751-99-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2S
InChI InChI=1S/C13H12O2S/c1-15-13(14)12-8-7-11(16-12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey JZWVHBUTFCRPFX-UHFFFAOYSA-N
Molecular Weight 232.297 g/mol
SMILES c1(sc(Cc2ccccc2)cc1)C(=O)OC
SPLASH splash10-00e9-0970000000-a743176bb6ba0158eea9
Source of Spectrum KC-1983-793-0
Wiley ID 1233683