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3-Chloro-N-(trans-4-cyano-cyclohexylmethyl)-benzo(B)thiophene-2-carboxamide

View entire compound with spectra: 1 NMR

3-Chloro-N-(trans-4-cyano-cyclohexylmethyl)-benzo(B)thiophene-2-carboxamide
SpectraBase Compound ID 91VsDKQijHV
InChI InChI=1S/C17H17ClN2OS/c18-15-13-3-1-2-4-14(13)22-16(15)17(21)20-10-12-7-5-11(9-19)6-8-12/h1-4,11-12H,5-8,10H2,(H,20,21)/t11-,12-
InChIKey CHLIVUHAXIXWMP-HAQNSBGRSA-N
Mol Weight 332.85 g/mol
Molecular Formula C17H17ClN2OS
Exact Mass 332.075012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19WocXCXdKH
Name 3-Chloro-N-(trans-4-cyano-cyclohexylmethyl)-benzo(B)thiophene-2-carboxamide
Comments MIXTURE WITH 40% CIS-ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17ClN2OS
InChI InChI=1S/C17H17ClN2OS/c18-15-13-3-1-2-4-14(13)22-16(15)17(21)20-10-12-7-5-11(9-19)6-8-12/h1-4,11-12H,5-8,10H2,(H,20,21)/t11-,12-
InChIKey CHLIVUHAXIXWMP-HAQNSBGRSA-N
Instrument Name Varian CFT-20
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3