| SpectraBase Spectrum ID |
IIu8oJ8mnQT |
| Name |
dl-Valine, N-methyl-N-(vinyloxycarbonyl)-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-24(27)23(22(3)4)26(5)25(28)29-7-2/h7,22-23H,2,6,8-21H2,1,3-5H3 |
| InChIKey |
UFVPMSBUIQFOGC-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCC)=O)N(C)C(=O)OC=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919343 |
