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

*Links on SpectraBase are not permalinks.

Valine, N-methyl-N-methoxycarbonyl-, heptadecyl ester

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

Valine, N-methyl-N-methoxycarbonyl-, heptadecyl ester
SpectraBase Compound ID J4bEoCgRrSY
InChI InChI=1S/C25H49NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(2)3)26(4)25(28)29-5/h22-23H,6-21H2,1-5H3
InChIKey DZHKVLHKLYCCKM-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

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID F51VhCaGT5q
Name Valine, N-methyl-N-methoxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(2)3)26(4)25(28)29-5/h22-23H,6-21H2,1-5H3
InChIKey DZHKVLHKLYCCKM-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES COC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O