| SpectraBase Spectrum ID |
HqBFd4UHB08 |
| Name |
2,2'-bis(Trifluoromethyl)bianthronyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.105448731 u |
| Formula |
C30H16F6O2 |
| InChI |
InChI=1S/C30H16F6O2/c31-29(32,33)15-9-11-21-23(13-15)25(17-5-1-3-7-19(17)27(21)37)26-18-6-2-4-8-20(18)28(38)22-12-10-16(14-24(22)26)30(34,35)36/h1-14,25-26H |
| InChIKey |
ININMHJAGVIGSB-UHFFFAOYSA-N |
| Molecular Weight |
522.446 g/mol |
| SMILES |
C1(C2C3=C(C=CC(C(F)(F)F)=C3)C(C3=C2C=CC=C3)=O)C2=C(C=CC(C(F)(F)F)=C2)C(C=2C1=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898818 |
