| SpectraBase Spectrum ID |
Dmh93Klfr69 |
| Name |
Valine, N-methyl-N-(2-chloroethoxycarbonyl)-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.327186726 u |
| Formula |
C25H48ClNO4 |
| InChI |
InChI=1S/C25H48ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-24(28)23(22(2)3)27(4)25(29)31-21-19-26/h22-23H,5-21H2,1-4H3 |
| InChIKey |
LGRSWMYIEIMVCK-UHFFFAOYSA-N |
| Molecular Weight |
462.115 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCOC(C(N(C(OCCCl)=O)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838573 |
