| SpectraBase Compound ID | AdphcqzZXYH |
|---|---|
| InChI | InChI=1S/C14H14O2S/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3 |
| InChIKey | CHNWLKJYOVQXOG-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 | I0BjAxoTGDU |
|---|---|
| Name | 2,2'-Thiodi-p-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/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3 |
| InChIKey | CHNWLKJYOVQXOG-UHFFFAOYSA-N |
| Molecular Weight | 246.324 g/mol |
| SMILES | OC=1C=CC(=CC1SC=1C(=CC=C(C1)C)O)C |
| Spectrum/Structure Validation Score (Raman) | 0.907594 |