| SpectraBase Spectrum ID |
EOuDTfF154O |
| Name |
Alanine, N-methyl-N-(2-chloroethoxycarbonyl)-, octadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-24(28)23(2)27(3)25(29)31-22-20-26/h23H,4-22H2,1-3H3 |
| InChIKey |
WKAIQBVZENFQIA-UHFFFAOYSA-N |
| Molecular Weight |
462.115 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCCOC(C(N(C(OCCCl)=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915672 |
