| SpectraBase Spectrum ID |
3PiCGYPNLrk |
| Name |
1-((4-(Tert-butyl)phenyl)thio)-2-methylpropan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.139136501 u |
| Formula |
C14H22OS |
| InChI |
InChI=1S/C14H22OS/c1-13(2,3)11-6-8-12(9-7-11)16-10-14(4,5)15/h6-9,15H,10H2,1-5H3 |
| InChIKey |
RHWOWKFJTOVDBB-UHFFFAOYSA-N |
| Molecular Weight |
238.389 g/mol |
| SMILES |
C(SC1=CC=C(C=C1)C(C)(C)C)C(C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971312 |