| SpectraBase Spectrum ID |
DfsHxirOr8O |
| Name |
5-Tert-butyl-alpha-[alpha-(2,2-dimethyl-1-hydroxypropyl)benzyl]o-xylene-alpha-phenyl-o-xylene-alpha,alpha'-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.282095081 u |
| Formula |
C30H38O3 |
| InChI |
InChI=1S/C30H38O3/c1-28(2,3)24-18-17-22(20-31)25(19-24)30(33,23-15-11-8-12-16-23)26(27(32)29(4,5)6)21-13-9-7-10-14-21/h7-19,26-27,31-33H,20H2,1-6H3 |
| InChIKey |
CHNSSHYSSPMWSA-UHFFFAOYSA-N |
| Molecular Weight |
446.631 g/mol |
| SMILES |
OCC=1C(C(C(C(C(C)(C)C)O)C=2C=CC=CC2)(O)C=2C=CC=CC2)=CC(=CC1)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.973828 |
![5-Tert-butyl-alpha-[alpha-(2,2-dimethyl-1-hydroxypropyl)benzyl]o-xylene-alpha-phenyl-o-xylene-alpha,alpha'-diol](/api/spectrum/DfsHxirOr8O/structure.png?h=300&w=458 "5-Tert-butyl-alpha-[alpha-(2,2-dimethyl-1-hydroxypropyl)benzyl]o-xylene-alpha-phenyl-o-xylene-alpha,alpha'-diol")
