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3-Hydroxy-5-oxo-4-propanoyl-3-cyclohexene-1-thio carboxylic acid, S-ethyl ester

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3-Hydroxy-5-oxo-4-propanoyl-3-cyclohexene-1-thio carboxylic acid, S-ethyl ester
SpectraBase Compound ID Fl3AlUQSGHq
InChI InChI=1S/C12H16O4S/c1-3-8(13)11-9(14)5-7(6-10(11)15)12(16)17-4-2/h7,14H,3-6H2,1-2H3
InChIKey FMVXZALECYYGEN-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C12H16O4S
Exact Mass 256.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JU2SdNDgcpD
Name 3-Hydroxy-5-oxo-4-propanoyl-3-cyclohexene-1-thio carboxylic acid, S-ethyl ester
CAS Registry Number 120092-60-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16O4S
InChI InChI=1S/C12H16O4S/c1-3-8(13)11-9(14)5-7(6-10(11)15)12(16)17-4-2/h7,14H,3-6H2,1-2H3
InChIKey FMVXZALECYYGEN-UHFFFAOYSA-N
Instrument Name Bruker AM-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3