| SpectraBase Spectrum ID |
BITH9NGqjE |
| Name |
Carbonic acid, monoamide, N-propyl-N-hexyl-, 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 |
317.071612050 u |
| Formula |
C12H22Cl3NO2 |
| InChI |
InChI=1S/C12H22Cl3NO2/c1-3-5-6-7-9-16(8-4-2)11(17)18-10-12(13,14)15/h3-10H2,1-2H3 |
| InChIKey |
MYEKOGJRSNAGSR-UHFFFAOYSA-N |
| Molecular Weight |
318.672 g/mol |
| SMILES |
C(N(CCC)CCCCCC)(=O)OCC(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87016 |
