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

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

N-[1-(2-Oxocyclopentyldene)butyl]-L-valine diethylamide
SpectraBase Compound ID 6dxH796iSP2
InChI InChI=1S/C18H32N2O2/c1-6-10-15(14-11-9-12-16(14)21)19-17(13(4)5)18(22)20(7-2)8-3/h13,17,19H,6-12H2,1-5H3/b15-14-/t17-/m0/s1
InChIKey KWOLIFXCXAYJNA-XUZQSEFNSA-N
Mol Weight 308.5 g/mol
Molecular Formula C18H32N2O2
Exact Mass 308.246378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Nt8opacZ2u
Name N-[1-(2-Oxocyclopentyldene)butyl]-L-valine diethylamide
Comments Computed using HOSE algorithm
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Exact Mass 308.246378276 u
Formula C18H32N2O2
InChI InChI=1S/C18H32N2O2/c1-6-10-15(14-11-9-12-16(14)21)19-17(13(4)5)18(22)20(7-2)8-3/h13,17,19H,6-12H2,1-5H3/b15-14-/t17-/m0/s1
InChIKey KWOLIFXCXAYJNA-XUZQSEFNSA-N
Molecular Weight 308.466 g/mol
SMILES C([C@@](N\C(=C/1C(=O)CCC1)CCC)(C(C)C)[H])(N(CC)CC)=O