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2-Thioxo-cyclononanecarboxylic acid, ethyl ester
SpectraBase Compound ID KVp07DkNtmc
InChI InChI=1S/C12H20O2S/c1-2-14-12(13)10-8-6-4-3-5-7-9-11(10)15/h15H,2-9H2,1H3/b11-10-
InChIKey RIRYIUZXSAKCKJ-KHPPLWFESA-N
Mol Weight 228.35 g/mol
Molecular Formula C12H20O2S
Exact Mass 228.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5MepgYmY3Br
Name 2-Thioxo-cyclononanecarboxylic acid, ethyl ester
CAS Registry Number 54928-95-9
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H20O2S
InChI InChI=1S/C12H20O2S/c1-2-14-12(13)10-8-6-4-3-5-7-9-11(10)15/h15H,2-9H2,1H3/b11-10-
InChIKey RIRYIUZXSAKCKJ-KHPPLWFESA-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