| SpectraBase Spectrum ID |
CSPg8ZYIpWb |
| Name |
dl-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
481.413109251 u |
| Formula |
C29H55NO4 |
| InChI |
InChI=1S/C29H55NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-33-28(31)27(26(3)4)30(5)29(32)34-24-9-7-2/h7,26-27H,2,6,8-25H2,1,3-5H3 |
| InChIKey |
VLBCTTLUAYFKQS-UHFFFAOYSA-N |
| Molecular Weight |
481.762 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCCCC)=O)N(C)C(=O)OCCC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914859 |
