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N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-leucine dimethylamide

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

N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-leucine dimethylamide
SpectraBase Compound ID FD8GYdf9JWn
InChI InChI=1S/C17H30N2O3/c1-6-22-17(21)13-9-7-8-10-14(13)18-15(11-12(2)3)16(20)19(4)5/h12,15,18H,6-11H2,1-5H3/t15-/m0/s1
InChIKey PJKCIHPKTMACBA-HNNXBMFYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C17H30N2O3
Exact Mass 310.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4mjYvWNikl
Name N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-leucine dimethylamide
Comments Computed using HOSE algorithm
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Exact Mass 310.225642831 u
Formula C17H30N2O3
InChI InChI=1S/C17H30N2O3/c1-6-22-17(21)13-9-7-8-10-14(13)18-15(11-12(2)3)16(20)19(4)5/h12,15,18H,6-11H2,1-5H3/t15-/m0/s1
InChIKey PJKCIHPKTMACBA-HNNXBMFYSA-N
Molecular Weight 310.438 g/mol
SMILES C1(=C(N[C@](C(N(C)C)=O)(CC(C)C)[H])CCCC1)C(=O)OCC