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

*Links on SpectraBase are not permalinks.

2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, dodecyl ester

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

2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, dodecyl ester
SpectraBase Compound ID 1xoSuk34lcI
InChI InChI=1S/C26H49NO4/c1-5-9-11-12-13-14-15-16-17-18-21-30-25(28)24(19-7-3)27-26(29)31-22-23(8-4)20-10-6-2/h7,23-24H,3,5-6,8-22H2,1-2,4H3,(H,27,29)
InChIKey QHHDXDGJFAJGOM-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 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 Cra73wgvgOx
Name 2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-5-9-11-12-13-14-15-16-17-18-21-30-25(28)24(19-7-3)27-26(29)31-22-23(8-4)20-10-6-2/h7,23-24H,3,5-6,8-22H2,1-2,4H3,(H,27,29)
InChIKey QHHDXDGJFAJGOM-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC)C=C