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2-Thioxo-cyclooctanecarboxylic acid, ethyl ester
SpectraBase Compound ID 2L8cnvXZc3I
InChI InChI=1S/C11H18O2S/c1-2-13-11(12)9-7-5-3-4-6-8-10(9)14/h14H,2-8H2,1H3/b10-9-
InChIKey NAVVMJHSUUJROW-KTKRTIGZSA-N
Mol Weight 214.32 g/mol
Molecular Formula C11H18O2S
Exact Mass 214.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CxSes4Nc1A
Name 2-Thioxo-cyclooctanecarboxylic acid, ethyl ester
CAS Registry Number 54928-94-8
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H18O2S
InChI InChI=1S/C11H18O2S/c1-2-13-11(12)9-7-5-3-4-6-8-10(9)14/h14H,2-8H2,1H3/b10-9-
InChIKey NAVVMJHSUUJROW-KTKRTIGZSA-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