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3-Benzylcarbamoyl-cis-4-(3-oxo-hex-1-enyl)-5-butyl-cyclohexene

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3-Benzylcarbamoyl-cis-4-(3-oxo-hex-1-enyl)-5-butyl-cyclohexene
SpectraBase Compound ID HsIzMiAXKQ6
InChI InChI=1S/C23H31NO3/c1-3-9-19-13-8-14-22(21(19)16-15-20(25)10-4-2)24-23(26)27-17-18-11-6-5-7-12-18/h5-8,11-12,14-16,19,21-22H,3-4,9-10,13,17H2,1-2H3,(H,24,26)/b16-15+
InChIKey JETWIUGMANUUBW-FOCLMDBBSA-N
Mol Weight 369.51 g/mol
Molecular Formula C23H31NO3
Exact Mass 369.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KK5rZGVs9ue
Name 3-Benzylcarbamoyl-cis-4-(3-oxo-hex-1-enyl)-5-butyl-cyclohexene
CAS Registry Number 67880-41-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H31NO3
InChI InChI=1S/C23H31NO3/c1-3-9-19-13-8-14-22(21(19)16-15-20(25)10-4-2)24-23(26)27-17-18-11-6-5-7-12-18/h5-8,11-12,14-16,19,21-22H,3-4,9-10,13,17H2,1-2H3,(H,24,26)/b16-15+
InChIKey JETWIUGMANUUBW-FOCLMDBBSA-N
Instrument Name Bruker WH-90
Literature Reference L.E. Overman, P.J. Jessup, J. Am. Chem. Soc. 100, 5179 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3