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N-[1-(2-Oxocyclohexyldene)butyl]-L-valine diethylamide

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

N-[1-(2-Oxocyclohexyldene)butyl]-L-valine diethylamide
SpectraBase Compound ID AQ3yWEcJOaH
InChI InChI=1S/C19H34N2O2/c1-6-11-16(15-12-9-10-13-17(15)22)20-18(14(4)5)19(23)21(7-2)8-3/h14,18,20H,6-13H2,1-5H3/b16-15-/t18-/m0/s1
InChIKey WCMWQBGGRVHWJX-ZPWFJYARSA-N
Mol Weight 322.5 g/mol
Molecular Formula C19H34N2O2
Exact Mass 322.262028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kaBqppbU97
Name N-[1-(2-Oxocyclohexyldene)butyl]-L-valine diethylamide
Comments Computed using HOSE algorithm
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Exact Mass 322.262028341 u
Formula C19H34N2O2
InChI InChI=1S/C19H34N2O2/c1-6-11-16(15-12-9-10-13-17(15)22)20-18(14(4)5)19(23)21(7-2)8-3/h14,18,20H,6-13H2,1-5H3/b16-15-/t18-/m0/s1
InChIKey WCMWQBGGRVHWJX-ZPWFJYARSA-N
Molecular Weight 322.493 g/mol
SMILES C([C@@](N\C(=C/1C(=O)CCCC1)CCC)(C(C)C)[H])(N(CC)CC)=O