| SpectraBase Spectrum ID |
ImEV4AKQuMr |
| Name |
dl-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.280236532 u |
| Formula |
C22H42ClNO4 |
| InChI |
InChI=1S/C22H42ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-27-21(25)20(3)24(4)22(26)28-18-19(2)17-23/h19-20H,5-18H2,1-4H3 |
| InChIKey |
SPQHCTDLMGRZOX-UHFFFAOYSA-N |
| Molecular Weight |
420.034 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(C)CCl)C(=O)OCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883083 |
