| SpectraBase Spectrum ID |
HEKWiUH9761 |
| Name |
1,2-Difluoro-3,4,5,6-tetrakis(3,5-dimethylphenyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.278507485 u |
| Formula |
C38H36F2 |
| InChI |
InChI=1S/C38H36F2/c1-21-9-22(2)14-29(13-21)33-34(30-15-23(3)10-24(4)16-30)36(32-19-27(7)12-28(8)20-32)38(40)37(39)35(33)31-17-25(5)11-26(6)18-31/h9-20H,1-8H3 |
| InChIKey |
NERIKERNGSBCID-UHFFFAOYSA-N |
| Molecular Weight |
530.703 g/mol |
| SMILES |
C=1(C(=C(C(=C(C1C=1C=C(C=C(C1)C)C)C=1C=C(C=C(C1)C)C)C=1C=C(C=C(C1)C)C)C=1C=C(C=C(C1)C)C)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883761 |
