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

*Links on SpectraBase are not permalinks.

L-Valine, N-[N-(1-oxodecyl)-L-alanyl]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

L-Valine, N-[N-(1-oxodecyl)-L-alanyl]-, methyl ester
SpectraBase Compound ID GuNTZNJiYGf
InChI InChI=1S/C19H36N2O4/c1-6-7-8-9-10-11-12-13-16(22)20-15(4)18(23)21-17(14(2)3)19(24)25-5/h14-15,17H,6-13H2,1-5H3,(H,20,22)(H,21,23)
InChIKey CJBPUHACPCYPOG-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C19H36N2O4
Exact Mass 356.267508 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 5iDiHKxatbX
Name L-Valine, N-[N-(1-oxodecyl)-L-alanyl]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.267507643 u
Formula C19H36N2O4
InChI InChI=1S/C19H36N2O4/c1-6-7-8-9-10-11-12-13-16(22)20-15(4)18(23)21-17(14(2)3)19(24)25-5/h14-15,17H,6-13H2,1-5H3,(H,20,22)(H,21,23)
InChIKey CJBPUHACPCYPOG-UHFFFAOYSA-N
Molecular Weight 356.507 g/mol
SMILES [C@](NC([C@@](NC(CCCCCCCCC)=O)(C)[H])=O)(C(OC)=O)(C(C)C)[H]