| SpectraBase Spectrum ID |
3alvIIpILnR |
| Name |
1,2,3-Tris(4-(trifluoromethyl)phenyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.103003950 u |
| Formula |
C27H15F9 |
| InChI |
InChI=1S/C27H15F9/c28-25(29,30)19-10-4-16(5-11-19)22-2-1-3-23(17-6-12-20(13-7-17)26(31,32)33)24(22)18-8-14-21(15-9-18)27(34,35)36/h1-15H |
| InChIKey |
URFIXYZQAUPONH-UHFFFAOYSA-N |
| Molecular Weight |
510.403 g/mol |
| SMILES |
C=1(C(=C(C=CC1)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F)C=1C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906366 |
