For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, heptyl ester

View entire compound with spectra: 1 NMR

Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, heptyl ester
SpectraBase Compound ID 2LcrvoD69Ne
InChI InChI=1S/C24H46N2O5/c1-9-11-13-14-15-17-30-23(28)21(19(5)6)25(7)22(27)20(18(3)4)26(8)24(29)31-16-12-10-2/h18-21H,9-17H2,1-8H3
InChIKey KTHOGTUHVVTQLV-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C24H46N2O5
Exact Mass 442.340673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HyGptUlCGd3
Name Valylvaline, N,N'-dimethyl-N-butoxycarbonyl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.340672584 u
Formula C24H46N2O5
InChI InChI=1S/C24H46N2O5/c1-9-11-13-14-15-17-30-23(28)21(19(5)6)25(7)22(27)20(18(3)4)26(8)24(29)31-16-12-10-2/h18-21H,9-17H2,1-8H3
InChIKey KTHOGTUHVVTQLV-UHFFFAOYSA-N
Molecular Weight 442.641 g/mol
SMILES CCCCOC(N(C(C(N(C(C(OCCCCCCC)=O)C(C)C)C)=O)C(C)C)C)=O