| SpectraBase Spectrum ID |
3LpiV7FNMt7 |
| Name |
1,2,3-Tris(4-tert-butylphenyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.328651352 u |
| Formula |
C36H42 |
| InChI |
InChI=1S/C36H42/c1-34(2,3)28-19-13-25(14-20-28)31-11-10-12-32(26-15-21-29(22-16-26)35(4,5)6)33(31)27-17-23-30(24-18-27)36(7,8)9/h10-24H,1-9H3 |
| InChIKey |
HSNMZIOWZSXGGO-UHFFFAOYSA-N |
| Molecular Weight |
474.732 g/mol |
| SMILES |
C=1(C(=C(C=CC1)C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C)C=1C=CC(=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87298 |
