| SpectraBase Spectrum ID |
L4KqhJvkSBd |
| Name |
Ethyl 2-chloro-2-(3-chlorobenzamido)-3,3,3-trifluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.998983072 u |
| Formula |
C12H10Cl2F3NO3 |
| InChI |
InChI=1S/C12H10Cl2F3NO3/c1-2-21-10(20)11(14,12(15,16)17)18-9(19)7-4-3-5-8(13)6-7/h3-6H,2H2,1H3,(H,18,19) |
| InChIKey |
RRQBMZDUGIMAAU-UHFFFAOYSA-N |
| Molecular Weight |
344.117 g/mol |
| SMILES |
C(NC(C(OCC)=O)(Cl)C(F)(F)F)(C1=CC=CC(=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845186 |
