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3-Thioxo-pentanoic acid, ethyl ester
SpectraBase Compound ID 8xAFt5maphm
InChI InChI=1S/C7H12O2S/c1-3-6(10)5-7(8)9-4-2/h5,10H,3-4H2,1-2H3/b6-5-
InChIKey DWFSRCLTWHYBMH-WAYWQWQTSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SL3pnMkK6l
Name 3-Thioxo-pentanoic acid, ethyl ester
CAS Registry Number 40553-22-8
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-3-6(10)5-7(8)9-4-2/h5,10H,3-4H2,1-2H3/b6-5-
InChIKey DWFSRCLTWHYBMH-WAYWQWQTSA-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