| SpectraBase Spectrum ID |
119QcStpKXY |
| Name |
Valine, N-methyl-N-methoxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.350508993 u |
| Formula |
C24H47NO4 |
| InChI |
InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(2)3)25(4)24(27)28-5/h21-22H,6-20H2,1-5H3 |
| InChIKey |
ZUUKHDYZOYNWEI-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
COC(N(C(C(OCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897222 |
