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2-Thioacetyl-pentanoic acid, ethyl ester
SpectraBase Compound ID BOHIyAH5nmh
InChI InChI=1S/C9H16O2S/c1-4-6-8(7(3)12)9(10)11-5-2/h12H,4-6H2,1-3H3/b8-7-
InChIKey JALGAOXIAUOGBN-FPLPWBNLSA-N
Mol Weight 188.28 g/mol
Molecular Formula C9H16O2S
Exact Mass 188.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6m0WnwrkYr
Name 2-Thioacetyl-pentanoic acid, ethyl ester
Comments (E)-ENETHIOL FORM OF ABOVE STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16O2S
InChI InChI=1S/C9H16O2S/c1-4-6-8(7(3)12)9(10)11-5-2/h12H,4-6H2,1-3H3/b8-7-
InChIKey JALGAOXIAUOGBN-FPLPWBNLSA-N
Instrument Name Bruker HX-270
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