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2-Thioxo-cycloheptanecarboxylic acid, ethyl ester
SpectraBase Compound ID Fp4AeOtF1Jm
InChI InChI=1S/C10H16O2S/c1-2-12-10(11)8-6-4-3-5-7-9(8)13/h13H,2-7H2,1H3
InChIKey DJUARJDPNNUMHF-UHFFFAOYSA-N
Mol Weight 200.3 g/mol
Molecular Formula C10H16O2S
Exact Mass 200.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDcaOzvpZB9
Name 2-Thioxo-cycloheptanecarboxylic acid, ethyl ester
CAS Registry Number 54928-93-7
Comments (Z)-ENETHIOL FORM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H16O2S
InChI InChI=1S/C10H16O2S/c1-2-12-10(11)8-6-4-3-5-7-9(8)13/h13H,2-7H2,1H3
InChIKey DJUARJDPNNUMHF-UHFFFAOYSA-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