| SpectraBase Spectrum ID |
i2X8MIotvq |
| Name |
3-Acetyl-2,5-dimethyl-4,6-diphenyl-4'-fluorobenzophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.168208142 u |
| Formula |
C29H23FO2 |
| InChI |
InChI=1S/C29H23FO2/c1-18-25(20(3)31)26(21-10-6-4-7-11-21)19(2)27(22-12-8-5-9-13-22)28(18)29(32)23-14-16-24(30)17-15-23/h4-17H,1-3H3 |
| InChIKey |
UJGLBRXBRGXCKV-UHFFFAOYSA-N |
| Molecular Weight |
422.499 g/mol |
| SMILES |
C=1C(=CC=C(C1)F)C(C=1C(=C(C(=C(C1C=1C=CC=CC1)C)C=1C=CC=CC1)C(C)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.773849 |
