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L-Norvalyl-L-norvaline, N-(2-methoxyethoxycarbonyl)-, isohexyl ester

View entire compound with spectra: 1 NMR

L-Norvalyl-L-norvaline, N-(2-methoxyethoxycarbonyl)-, isohexyl ester
SpectraBase Compound ID 8s145jmcoo2
InChI InChI=1S/C20H38N2O6/c1-6-9-16(22-20(25)28-14-13-26-5)18(23)21-17(10-7-2)19(24)27-12-8-11-15(3)4/h15-17H,6-14H2,1-5H3,(H,21,23)(H,22,25)
InChIKey KTGGNLWGRCGSFJ-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C20H38N2O6
Exact Mass 402.272987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72IPuun63Ri
Name L-Norvalyl-L-norvaline, N-(2-methoxyethoxycarbonyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.272986946 u
Formula C20H38N2O6
InChI InChI=1S/C20H38N2O6/c1-6-9-16(22-20(25)28-14-13-26-5)18(23)21-17(10-7-2)19(24)27-12-8-11-15(3)4/h15-17H,6-14H2,1-5H3,(H,21,23)(H,22,25)
InChIKey KTGGNLWGRCGSFJ-UHFFFAOYSA-N
Molecular Weight 402.532 g/mol
SMILES COCCOC(NC(C(NC(CCC)C(OCCCC(C)C)=O)=O)CCC)=O