| SpectraBase Spectrum ID |
FlKmYCGof5C |
| Name |
2,6-di-Tert-butyl-4-[2-chloro-1-(4-methoxyphenyl)-2-(toluene-4-sulfonyl)ethyl]phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.210108541 u |
| Formula |
C30H37ClO4S |
| InChI |
InChI=1S/C30H37ClO4S/c1-19-9-15-23(16-10-19)36(33,34)28(31)26(20-11-13-22(35-8)14-12-20)21-17-24(29(2,3)4)27(32)25(18-21)30(5,6)7/h9-18,26,28,32H,1-8H3 |
| InChIKey |
YDAODOGFQIYNQA-UHFFFAOYSA-N |
| Molecular Weight |
529.135 g/mol |
| SMILES |
C=1(C(=CC(=CC1C(C)(C)C)C(C(S(=O)(=O)C=1C=CC(=CC1)C)Cl)C=1C=CC(=CC1)OC)C(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951043 |
![2,6-Di-tert-butyl-4-[2-chloro-1-(4-methoxyphenyl)-2-(toluene-4-sulfonyl)ethyl]phenol](/api/spectrum/FlKmYCGof5C/structure.png?h=300&w=458 "2,6-Di-tert-butyl-4-[2-chloro-1-(4-methoxyphenyl)-2-(toluene-4-sulfonyl)ethyl]phenol")
