| SpectraBase Compound ID | 1ExnFV2oopd |
|---|---|
| InChI | InChI=1S/C14H14O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3 |
| InChIKey | IBNFPRMKLZDANU-UHFFFAOYSA-N |
| Mol Weight | 246.32 g/mol |
| Molecular Formula | C14H14O2S |
| Exact Mass | 246.071451 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EtYNH6hTfkQ |
|---|---|
| Name | 4,4'-Thiodi-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.071450863 u |
| Formula | C14H14O2S |
| InChI | InChI=1S/C14H14O2S/c1-9-7-11(3-5-13(9)15)17-12-4-6-14(16)10(2)8-12/h3-8,15-16H,1-2H3 |
| InChIKey | IBNFPRMKLZDANU-UHFFFAOYSA-N |
| Molecular Weight | 246.324 g/mol |
| SMILES | OC1=CC=C(SC=2C=CC(=C(C2)C)O)C=C1C |
| Spectrum/Structure Validation Score (Raman) | 0.872735 |