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2-Thiobenzoyl-acetic acid, ethyl ester

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2-Thiobenzoyl-acetic acid, ethyl ester
SpectraBase Compound ID 2fhHRNfCbTY
InChI InChI=1S/C11H12O2S/c1-2-13-11(12)8-10(14)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3/b10-8-
InChIKey KITGQMUBFVFBRU-NTMALXAHSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bv5Ml7kMU53
Name 2-Thiobenzoyl-acetic acid, ethyl ester
CAS Registry Number 4394-97-2
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-2-13-11(12)8-10(14)9-6-4-3-5-7-9/h3-8,14H,2H2,1H3/b10-8-
InChIKey KITGQMUBFVFBRU-NTMALXAHSA-N
Instrument Name Bruker WH-90
Literature Reference F. Duns, P.E. Hansen, Org. Magn. Resonance 22, 16 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3