| SpectraBase Spectrum ID |
5pxEt16joRB |
| Name |
Dichlorophen, o,o'-di(3-trifluoromethylbenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
612.032983369 u |
| Formula |
C29H16Cl2F6O4 |
| InChI |
InChI=1S/C29H16Cl2F6O4/c30-22-7-9-24(40-26(38)16-3-1-5-20(12-16)28(32,33)34)18(14-22)11-19-15-23(31)8-10-25(19)41-27(39)17-4-2-6-21(13-17)29(35,36)37/h1-10,12-15H,11H2 |
| InChIKey |
NWSJXVYBCWVKAI-UHFFFAOYSA-N |
| Molecular Weight |
613.339 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OC1=C(C=C(C=C1)Cl)CC1=C(C=CC(=C1)Cl)OC(C1=CC(C(F)(F)F)=CC=C1)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929746 |
