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2-Thiobenzoyl-propionic acid, ethyl ester

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2-Thiobenzoyl-propionic acid, ethyl ester
SpectraBase Compound ID LDyrCYhOvyV
InChI InChI=1S/C12H14O2S/c1-3-14-12(13)9(2)11(15)10-7-5-4-6-8-10/h4-8,15H,3H2,1-2H3/b11-9-
InChIKey HCILBCCHQYCHPP-LUAWRHEFSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FnncZMofikG
Name 2-Thiobenzoyl-propionic acid, ethyl ester
Comments (E)-ENETHIOL FORM OF ABOVE STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-3-14-12(13)9(2)11(15)10-7-5-4-6-8-10/h4-8,15H,3H2,1-2H3/b11-9-
InChIKey HCILBCCHQYCHPP-LUAWRHEFSA-N
Instrument Name Jeol FX-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