| SpectraBase Spectrum ID |
1aBxkAt97Ft |
| Name |
2-Tert-butyl-4-methyl-6-[(methylthio)methyl]phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.123486437 u |
| Formula |
C13H20OS |
| InChI |
InChI=1S/C13H20OS/c1-9-6-10(8-15-5)12(14)11(7-9)13(2,3)4/h6-7,14H,8H2,1-5H3 |
| InChIKey |
RBTCXCFYDWZLHZ-UHFFFAOYSA-N |
| Molecular Weight |
224.362 g/mol |
| SMILES |
C1(=C(C(CSC)=CC(=C1)C)O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927076 |
![2-Tert-butyl-4-methyl-6-[(methylthio)methyl]phenol](/api/spectrum/1aBxkAt97Ft/structure.png?h=300&w=458 "2-Tert-butyl-4-methyl-6-[(methylthio)methyl]phenol")
