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N-Hexyl-N-( 5',5'-dimethyl-3'-oxocyclohex-1'-enyl)-2-(cyclopent-2"-enyl)acetamide enamide
SpectraBase Compound ID GHBPw3FNQS5
InChI InChI=1S/C21H33NO2/c1-4-5-6-9-12-22(20(24)13-17-10-7-8-11-17)18-14-19(23)16-21(2,3)15-18/h7,10,14,17H,4-6,8-9,11-13,15-16H2,1-3H3
InChIKey CSDUXNIHTWNIQH-UHFFFAOYSA-N
Mol Weight 331.5 g/mol
Molecular Formula C21H33NO2
Exact Mass 331.251129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4Yqle1Mm1c
Name N-Hexyl-N-( 5',5'-dimethyl-3'-oxocyclohex-1'-enyl)-2-(cyclopent-2''-enyl)acetamide enamide
Comments Computed using HOSE algorithm
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Exact Mass 331.251129305 u
Formula C21H33NO2
InChI InChI=1S/C21H33NO2/c1-4-5-6-9-12-22(20(24)13-17-10-7-8-11-17)18-14-19(23)16-21(2,3)15-18/h7,10,14,17H,4-6,8-9,11-13,15-16H2,1-3H3
InChIKey CSDUXNIHTWNIQH-UHFFFAOYSA-N
Molecular Weight 331.500 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)N(C(CC1C=CCC1)=O)CCCCCC