| SpectraBase Spectrum ID |
3VNIpWDYGVW |
| Name |
Carbonic acid, monoamide, N-propyl-N-undecyl-, 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 |
387.149862372 u |
| Formula |
C17H32Cl3NO2 |
| InChI |
InChI=1S/C17H32Cl3NO2/c1-3-5-6-7-8-9-10-11-12-14-21(13-4-2)16(22)23-15-17(18,19)20/h3-15H2,1-2H3 |
| InChIKey |
CQKNUCMRAMQXIP-UHFFFAOYSA-N |
| Molecular Weight |
388.807 g/mol |
| SMILES |
C(N(CCC)CCCCCCCCCCC)(=O)OCC(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827037 |
