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3-Thioxo-hexanoic acid, ethyl ester

View entire compound with spectra: 1 NMR

3-Thioxo-hexanoic acid, ethyl ester
SpectraBase Compound ID 3EfWs3QIPv0
InChI InChI=1S/C8H14O2S/c1-3-5-7(11)6-8(9)10-4-2/h6,11H,3-5H2,1-2H3/b7-6-
InChIKey KZGNRZHWNGBHPI-SREVYHEPSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAH0nEaj458
Name 3-Thioxo-hexanoic acid, ethyl ester
CAS Registry Number 40553-23-9
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-3-5-7(11)6-8(9)10-4-2/h6,11H,3-5H2,1-2H3/b7-6-
InChIKey KZGNRZHWNGBHPI-SREVYHEPSA-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