| SpectraBase Spectrum ID |
1DziCMrY1xv |
| Name |
1,3,5-Tris(3-(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)22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(14-17)26(31,32)33)12-21(11-19)18-6-3-9-24(15-18)27(34,35)36/h1-15H |
| InChIKey |
CHBXOAAXZUZZOX-UHFFFAOYSA-N |
| Molecular Weight |
510.403 g/mol |
| SMILES |
C=1(C=C(C=C(C1)C=1C=C(C=CC1)C(F)(F)F)C=1C=C(C=CC1)C(F)(F)F)C=1C=C(C=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822672 |
