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N-Benzyl-N-(5',5'-dimethyl-3'-oxocyclohex-1'-enyl)hex-5-enamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-Benzyl-N-(5',5'-dimethyl-3'-oxocyclohex-1'-enyl)hex-5-enamide
SpectraBase Compound ID 2dIGacS6KQE
InChI InChI=1S/C21H27NO2/c1-4-5-7-12-20(24)22(16-17-10-8-6-9-11-17)18-13-19(23)15-21(2,3)14-18/h4,6,8-11,13H,1,5,7,12,14-16H2,2-3H3
InChIKey NNGCZHBAYZCLQH-UHFFFAOYSA-N
Mol Weight 325.45 g/mol
Molecular Formula C21H27NO2
Exact Mass 325.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kmt7Lr3sMbM
Name N-Benzyl-N-(5',5'-dimethyl-3'-oxocyclohex-1'-enyl)hex-5-enamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.204179111 u
Formula C21H27NO2
InChI InChI=1S/C21H27NO2/c1-4-5-7-12-20(24)22(16-17-10-8-6-9-11-17)18-13-19(23)15-21(2,3)14-18/h4,6,8-11,13H,1,5,7,12,14-16H2,2-3H3
InChIKey NNGCZHBAYZCLQH-UHFFFAOYSA-N
Molecular Weight 325.452 g/mol
SMILES C1(N(C(=O)CCCC=C)CC=2C=CC=CC2)=CC(=O)CC(C1)(C)C