| SpectraBase Spectrum ID |
7KriNgUC0tg |
| Name |
Carbonic acid, monoamide, N-(2-butyl)-N-octadecyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.368657616 u |
| Formula |
C26H52ClNO2 |
| InChI |
InChI=1S/C26H52ClNO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(25(3)5-2)26(29)30-24-21-22-27/h25H,4-24H2,1-3H3 |
| InChIKey |
AABPXHNGCFVNMS-UHFFFAOYSA-N |
| Molecular Weight |
446.160 g/mol |
| SMILES |
C(N(CCCCCCCCCCCCCCCCCC)C(CC)C)(=O)OCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849459 |
