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L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, undecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, undecyl ester
SpectraBase Compound ID 1E332yN5w9I
InChI InChI=1S/C25H49NO4/c1-5-9-11-12-13-14-15-16-17-20-29-24(27)23(18-7-3)26-25(28)30-21-22(8-4)19-10-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey OSQNSJWUJMFARJ-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FaRCa87rWsy
Name L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-5-9-11-12-13-14-15-16-17-20-29-24(27)23(18-7-3)26-25(28)30-21-22(8-4)19-10-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey OSQNSJWUJMFARJ-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CCCC(C(OCCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC