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L-Norvalyl-L-norvaline, N-ethoxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Norvalyl-L-norvaline, N-ethoxycarbonyl-, octyl ester
SpectraBase Compound ID W1SrCUFdxo
InChI InChI=1S/C21H40N2O5/c1-5-9-10-11-12-13-16-28-20(25)18(15-7-3)22-19(24)17(14-6-2)23-21(26)27-8-4/h17-18H,5-16H2,1-4H3,(H,22,24)(H,23,26)
InChIKey RDTNLGJNFCRORQ-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C21H40N2O5
Exact Mass 400.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5YgvyaIoHBv
Name L-Norvalyl-L-norvaline, N-ethoxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.293722391 u
Formula C21H40N2O5
InChI InChI=1S/C21H40N2O5/c1-5-9-10-11-12-13-16-28-20(25)18(15-7-3)22-19(24)17(14-6-2)23-21(26)27-8-4/h17-18H,5-16H2,1-4H3,(H,22,24)(H,23,26)
InChIKey RDTNLGJNFCRORQ-UHFFFAOYSA-N
Molecular Weight 400.560 g/mol
SMILES CCOC(NC(C(NC(C(OCCCCCCCC)=O)CCC)=O)CCC)=O