| SpectraBase Spectrum ID |
6WBCybW3Pzr |
| Name |
1,2,4,5-Tetrakis(4-tert-butylphenyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.422551739 u |
| Formula |
C46H54 |
| InChI |
InChI=1S/C46H54/c1-43(2,3)35-21-13-31(14-22-35)39-29-41(33-17-25-37(26-18-33)45(7,8)9)42(34-19-27-38(28-20-34)46(10,11)12)30-40(39)32-15-23-36(24-16-32)44(4,5)6/h13-30H,1-12H3 |
| InChIKey |
QBHLIFKEXLEUDU-UHFFFAOYSA-N |
| Molecular Weight |
606.938 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)C=1C=CC(=CC1)C(C)(C)C)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) |
0.862117 |
