| SpectraBase Spectrum ID |
624ehbbqGh3 |
| Name |
Valine, N-methyl-N-methoxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.334858929 u |
| Formula |
C23H45NO4 |
| InChI |
InChI=1S/C23H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-22(25)21(20(2)3)24(4)23(26)27-5/h20-21H,6-19H2,1-5H3 |
| InChIKey |
XIOHAFZZMPXASJ-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
COC(N(C(C(OCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809128 |
