SpectraBase Spectrum ID |
L0Is0PDPupt |
Name |
Valine, N-methyl-N-butoxycarboyl-, heptadecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
469.413109251 u |
Formula |
C28H55NO4 |
InChI |
InChI=1S/C28H55NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-32-27(30)26(25(3)4)29(5)28(31)33-23-9-7-2/h25-26H,6-24H2,1-5H3 |
InChIKey |
GKHQNFPVFVWCBF-UHFFFAOYSA-N |
Molecular Weight |
469.751 g/mol |
SMILES |
CCCCOC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866734 |