| SpectraBase Spectrum ID |
DZvr3ttQpNH |
| Name |
Phenol, 4-chloro-2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.211822620 u |
| Formula |
C28H33ClO3 |
| InChI |
InChI=1S/C28H33ClO3/c1-27(2,3)21-7-9-24(30)17(13-21)11-19-15-23(29)16-20(26(19)32)12-18-14-22(28(4,5)6)8-10-25(18)31/h7-10,13-16,30-32H,11-12H2,1-6H3 |
| InChIKey |
AIRFJONUAORYSY-UHFFFAOYSA-N |
| Molecular Weight |
453.022 g/mol |
| SMILES |
C=1(C(=C(CC2=CC(C(C)(C)C)=CC=C2O)C=C(C1)Cl)O)CC1=CC(C(C)(C)C)=CC=C1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898277 |
![Phenol, 4-chloro-2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-](/api/spectrum/DZvr3ttQpNH/structure.png?h=300&w=458 "Phenol, 4-chloro-2,6-bis[[5-(1,1-dimethylethyl)-2-hydroxyphenyl]methyl]-")
