| SpectraBase Spectrum ID |
Wy70bEmB9p |
| Name |
Carbonic acid, monoamide, N-propyl-N-dodecyl-, 2,2,2-trichloroethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.165512437 u |
| Formula |
C18H34Cl3NO2 |
| InChI |
InChI=1S/C18H34Cl3NO2/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)17(23)24-16-18(19,20)21/h3-16H2,1-2H3 |
| InChIKey |
LLTLQQQSKCJEQF-UHFFFAOYSA-N |
| Molecular Weight |
402.834 g/mol |
| SMILES |
C(N(CCC)CCCCCCCCCCCC)(=O)OCC(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806105 |
