| SpectraBase Spectrum ID |
Jr9ENM7HPMz |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-hexadecyl-, 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27(24(3)20-5-2)25(28)29-23-19-21-26/h24H,4-23H2,1-3H3 |
| InChIKey |
MALDJEXZUUMFHP-UHFFFAOYSA-N |
| Molecular Weight |
432.133 g/mol |
| SMILES |
CCCC(C)N(C(OCCCCl)=O)CCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852605 |
