| SpectraBase Spectrum ID |
B1gQRuU5Xfm |
| Name |
4,5-bis(p-Tolyl)-2,7-di-tert-butyl-9,9-dimethyl-9H-xanthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.323565971 u |
| Formula |
C37H42O |
| InChI |
InChI=1S/C37H42O/c1-23-11-15-25(16-12-23)29-19-27(35(3,4)5)21-31-33(29)38-34-30(26-17-13-24(2)14-18-26)20-28(36(6,7)8)22-32(34)37(31,9)10/h11-22H,1-10H3 |
| InChIKey |
SUMVVJWVXNYHKW-UHFFFAOYSA-N |
| Molecular Weight |
502.742 g/mol |
| SMILES |
C12=C(C(C)(C)C3=C(O2)C(=CC(C(C)(C)C)=C3)C2=CC=C(C=C2)C)C=C(C=C1C=1C=CC(=CC1)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930191 |
