For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2S,7S,8S)-7-Chloro-8-cyanomethyl-3,6,7,8-tetrahydro-2-(1-propenyl)-2H-oxocin

View entire compound with spectra: 1 NMR

(2S,7S,8S)-7-Chloro-8-cyanomethyl-3,6,7,8-tetrahydro-2-(1-propenyl)-2H-oxocin
SpectraBase Compound ID 4NhUfh0nB5M
InChI InChI=1S/C12H16ClNO/c1-2-5-10-6-3-4-7-11(13)12(15-10)8-9-14/h2-5,10-12H,6-8H2,1H3/b4-3-,5-2+
InChIKey KXEHLEWBADZACM-YMDHRIDOSA-N
Mol Weight 225.72 g/mol
Molecular Formula C12H16ClNO
Exact Mass 225.092042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9fGlPxifNVK
Name (2S,7S,8S)-7-Chloro-8-cyanomethyl-3,6,7,8-tetrahydro-2-(1-propenyl)-2H-oxocin
CAS Registry Number 112793-81-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H16ClNO
InChI InChI=1S/C12H16ClNO/c1-2-5-10-6-3-4-7-11(13)12(15-10)8-9-14/h2-5,10-12H,6-8H2,1H3/b4-3-,5-2+
InChIKey KXEHLEWBADZACM-YMDHRIDOSA-N
Literature Reference L.E. Overman, A.S. Thompson, J. Am. Chem. Soc. 110, 2248 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3