![2-[(4-Tert-butyl-o-tolyl)thio]ethanol](/api/spectrum/2N5Iv0vqWU4/structure.png?h=300&w=458 "2-[(4-Tert-butyl-o-tolyl)thio]ethanol")
| SpectraBase Compound ID | CEree09t0dd |
|---|---|
| InChI | InChI=1S/C13H20OS/c1-10-9-11(13(2,3)4)5-6-12(10)15-8-7-14/h5-6,9,14H,7-8H2,1-4H3 |
| InChIKey | WQPMOUTXCIPKQQ-UHFFFAOYSA-N |
| Mol Weight | 224.36 g/mol |
| Molecular Formula | C13H20OS |
| Exact Mass | 224.123486 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2N5Iv0vqWU4 |
|---|---|
| Name | 2-[(4-Tert-butyl-o-tolyl)thio]ethanol |
| 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/c1-10-9-11(13(2,3)4)5-6-12(10)15-8-7-14/h5-6,9,14H,7-8H2,1-4H3 |
| InChIKey | WQPMOUTXCIPKQQ-UHFFFAOYSA-N |
| Molecular Weight | 224.362 g/mol |
| SMILES | OCCSC1=CC=C(C=C1C)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.97905 |