| SpectraBase Spectrum ID |
8nqQWMCZ8Ac |
| Name |
Valine, N-methyl-N-ethoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.381809122 u |
| Formula |
C26H51NO4 |
| InChI |
InChI=1S/C26H51NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(28)24(23(3)4)27(5)26(29)30-7-2/h23-24H,6-22H2,1-5H3 |
| InChIKey |
IFLRXFXVWDCUGK-UHFFFAOYSA-N |
| Molecular Weight |
441.697 g/mol |
| SMILES |
CCOC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858667 |
