| SpectraBase Spectrum ID |
E9CIxTdo5v |
| Name |
9H-Xanthen-4-ol, 1,3,5,7-tetrakis(1,1-dimethylethyl)-9-(4-methoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.360345403 u |
| Formula |
C36H48O3 |
| InChI |
InChI=1S/C36H48O3/c1-33(2,3)22-18-24(21-14-16-23(38-13)17-15-21)31-25(19-22)29(36(10,11)12)28-30(37)26(34(4,5)6)20-27(32(28)39-31)35(7,8)9/h14-20,29,37H,1-13H3 |
| InChIKey |
BSTBCHINUUMZNO-UHFFFAOYSA-N |
| Molecular Weight |
528.777 g/mol |
| SMILES |
C12=C(OC3=C(C2C(C)(C)C)C=C(C=C3C=2C=CC(=CC2)OC)C(C)(C)C)C(C(C)(C)C)=CC(=C1O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958882 |
