| SpectraBase Spectrum ID |
2jNCbmiRmyn |
| Name |
Dichlorophen, o,o'-di(3-fluorobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.039370717 u |
| Formula |
C27H16Cl2F2O4 |
| InChI |
InChI=1S/C27H16Cl2F2O4/c28-20-7-9-24(34-26(32)16-3-1-5-22(30)14-16)18(12-20)11-19-13-21(29)8-10-25(19)35-27(33)17-4-2-6-23(31)15-17/h1-10,12-15H,11H2 |
| InChIKey |
MYDYUTGBFCPIPM-UHFFFAOYSA-N |
| Molecular Weight |
513.324 g/mol |
| SMILES |
C1=CC=C(C=C1C(=O)OC1=C(C=C(C=C1)Cl)CC1=C(C=CC(=C1)Cl)OC(C1=CC=CC(=C1)F)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9509 |
