| SpectraBase Spectrum ID |
I4ULW04AM2b |
| Name |
Dichlorphen, o-(2,5-di(trifluoromethyl)benzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
508.006768621 u |
| Formula |
C22H12Cl2F6O3 |
| InChI |
InChI=1S/C22H12Cl2F6O3/c23-14-2-5-18(31)11(8-14)7-12-9-15(24)3-6-19(12)33-20(32)16-10-13(21(25,26)27)1-4-17(16)22(28,29)30/h1-6,8-10,31H,7H2 |
| InChIKey |
KOXUKYDOBFPLEO-UHFFFAOYSA-N |
| Molecular Weight |
509.231 g/mol |
| SMILES |
C1=C(C=C(C(=C1)O)CC=1C(OC(C2=C(C(F)(F)F)C=CC(=C2)C(F)(F)F)=O)=CC=C(C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92261 |
