| SpectraBase Spectrum ID |
4CCMe4S8Itt |
| Name |
Dichlorophen, o-(3-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.019384165 u |
| Formula |
C21H13Cl2F3O3 |
| InChI |
InChI=1S/C21H13Cl2F3O3/c22-16-4-6-18(27)13(10-16)8-14-11-17(23)5-7-19(14)29-20(28)12-2-1-3-15(9-12)21(24,25)26/h1-7,9-11,27H,8H2 |
| InChIKey |
CRDWVOZNFLZCRZ-UHFFFAOYSA-N |
| Molecular Weight |
441.233 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OC1=C(C=C(C=C1)Cl)CC1=C(C=CC(=C1)Cl)O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844901 |
