| SpectraBase Spectrum ID |
AY7LAiU9jMa |
| Name |
dl-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.264586468 u |
| Formula |
C21H40ClNO4 |
| InChI |
InChI=1S/C21H40ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-26-20(24)19(3)23(4)21(25)27-17-18(2)16-22/h18-19H,5-17H2,1-4H3 |
| InChIKey |
SGTAFXXYGUTWDM-UHFFFAOYSA-N |
| Molecular Weight |
406.007 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(C)CCl)C(=O)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909913 |
