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

*Links on SpectraBase are not permalinks.

.beta.-Alanine, N-(3-methylbut-2-enoyl)-, hexadecyl ester

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

.beta.-Alanine, N-(3-methylbut-2-enoyl)-, hexadecyl ester
SpectraBase Compound ID DH0oxIIuJ9Y
InChI InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)18-19-25-23(26)21-22(2)3/h21H,4-20H2,1-3H3,(H,25,26)
InChIKey QKRGLEQGMQJVGW-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C24H45NO3
Exact Mass 395.339944 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 6ZJeCuYqdwd
Name .beta.-Alanine, N-(3-methylbut-2-enoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.339944310 u
Formula C24H45NO3
InChI InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)18-19-25-23(26)21-22(2)3/h21H,4-20H2,1-3H3,(H,25,26)
InChIKey QKRGLEQGMQJVGW-UHFFFAOYSA-N
Molecular Weight 395.628 g/mol
SMILES CC(=CC(NCCC(OCCCCCCCCCCCCCCCC)=O)=O)C