| SpectraBase Spectrum ID |
7GB1z4noPE1 |
| Name |
Carbonic acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 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 |
355.014491095 u |
| Formula |
C13H16Cl3NO4 |
| InChI |
InChI=1S/C13H16Cl3NO4/c1-19-10-4-3-9(7-11(10)20-2)5-6-17-12(18)21-8-13(14,15)16/h3-4,7H,5-6,8H2,1-2H3,(H,17,18) |
| InChIKey |
XFELZSZYAXLLEL-UHFFFAOYSA-N |
| Molecular Weight |
356.633 g/mol |
| SMILES |
COC1=CC=C(C=C1OC)CCNC(OCC(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95916 |
