| SpectraBase Spectrum ID |
1gjsQ1Urj8S |
| Name |
Valine, N-methyl-N-methoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.366159058 u |
| Formula |
C25H49NO4 |
| InChI |
InChI=1S/C25H49NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(2)3)26(4)25(28)29-5/h22-23H,6-21H2,1-5H3 |
| InChIKey |
DZHKVLHKLYCCKM-UHFFFAOYSA-N |
| Molecular Weight |
427.670 g/mol |
| SMILES |
COC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907421 |
