| SpectraBase Spectrum ID |
LQea8yarcJ6 |
| Name |
Carbonic acid, monoamide, N-propyl-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 |
431.353007552 u |
| Formula |
C25H50ClNO2 |
| InChI |
InChI=1S/C25H50ClNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27(22-4-2)25(28)29-24-20-21-26/h3-24H2,1-2H3 |
| InChIKey |
ISRHKRZGNLGELK-UHFFFAOYSA-N |
| Molecular Weight |
432.133 g/mol |
| SMILES |
C(=O)(OCCCCl)N(CCC)CCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862794 |
