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N-(5',5'-Dimethyl-3'-oxocyclohex-1'-enyl)-N-(1''-phenylethyl)pent-4-enamide

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N-(5',5'-Dimethyl-3'-oxocyclohex-1'-enyl)-N-(1''-phenylethyl)pent-4-enamide
SpectraBase Compound ID 9kqflQ4IFaf
InChI InChI=1S/C21H27NO2/c1-5-6-12-20(24)22(16(2)17-10-8-7-9-11-17)18-13-19(23)15-21(3,4)14-18/h5,7-11,13,16H,1,6,12,14-15H2,2-4H3
InChIKey CYWVLVMAOMHECR-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 5KOhTeMnkSj
Name N-(5',5'-Dimethyl-3'-oxocyclohex-1'-enyl)-N-(1''-phenylethyl)pent-4-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/c1-5-6-12-20(24)22(16(2)17-10-8-7-9-11-17)18-13-19(23)15-21(3,4)14-18/h5,7-11,13,16H,1,6,12,14-15H2,2-4H3
InChIKey CYWVLVMAOMHECR-UHFFFAOYSA-N
Molecular Weight 325.452 g/mol
SMILES C1(N(C(=O)CCC=C)C(C2=CC=CC=C2)C)=CC(=O)CC(C1)(C)C