| SpectraBase Spectrum ID |
9qG6BZE0m7m |
| Name |
dl-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.248936404 u |
| Formula |
C20H38ClNO4 |
| InChI |
InChI=1S/C20H38ClNO4/c1-5-6-7-8-9-10-11-12-13-14-25-19(23)18(3)22(4)20(24)26-16-17(2)15-21/h17-18H,5-16H2,1-4H3 |
| InChIKey |
RQRHCGQPSKNHDN-UHFFFAOYSA-N |
| Molecular Weight |
391.980 g/mol |
| SMILES |
CC(N(C)C(=O)OCC(C)CCl)C(=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817969 |
