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

*Links on SpectraBase are not permalinks.

dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester

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

dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester
SpectraBase Compound ID 5FaIzBaTakk
InChI InChI=1S/C24H47NO4/c1-7-10-12-13-14-15-16-18-28-23(26)22(20(4)5)25(6)24(27)29-19-21(9-3)17-11-8-2/h20-22H,7-19H2,1-6H3
InChIKey BSTINVQYGDUEHP-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C24H47NO4
Exact Mass 413.350509 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 EUNcWdOINJK
Name dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.350508993 u
Formula C24H47NO4
InChI InChI=1S/C24H47NO4/c1-7-10-12-13-14-15-16-18-28-23(26)22(20(4)5)25(6)24(27)29-19-21(9-3)17-11-8-2/h20-22H,7-19H2,1-6H3
InChIKey BSTINVQYGDUEHP-UHFFFAOYSA-N
Molecular Weight 413.643 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C