| SpectraBase Spectrum ID |
F9pDUSo1lSC |
| Name |
1,3-bis(3-(Trifluoromethyl)phenyl)-9H-thioxanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.066955222 u |
| Formula |
C27H14F6OS |
| InChI |
InChI=1S/C27H14F6OS/c28-26(29,30)18-7-3-5-15(11-18)17-13-21(16-6-4-8-19(12-16)27(31,32)33)24-23(14-17)35-22-10-2-1-9-20(22)25(24)34/h1-14H |
| InChIKey |
PPLRPTKIWZQTQD-UHFFFAOYSA-N |
| Molecular Weight |
500.458 g/mol |
| SMILES |
C1=2C(C3=CC=CC=C3SC2C=C(C2=CC(C(F)(F)F)=CC=C2)C=C1C1=CC(C(F)(F)F)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950189 |
