| SpectraBase Spectrum ID |
GLMynUZAt8R |
| Name |
Dichlorphen, o,o'-di(pentafluorobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
655.963995764 u |
| Formula |
C27H8Cl2F10O4 |
| InChI |
InChI=1S/C27H8Cl2F10O4/c28-10-1-3-12(42-26(40)14-16(30)20(34)24(38)21(35)17(14)31)8(6-10)5-9-7-11(29)2-4-13(9)43-27(41)15-18(32)22(36)25(39)23(37)19(15)33/h1-4,6-7H,5H2 |
| InChIKey |
CDEGXIKTBLFWRO-UHFFFAOYSA-N |
| Molecular Weight |
657.247 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)CC=1C(OC(C2=C(C(=C(F)C(=C2F)F)F)F)=O)=CC=C(C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910274 |
