| SpectraBase Compound ID | 2wFlEMLmvM |
|---|---|
| InChI | InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H |
| InChIKey | JLLMOYPIVVKFHY-UHFFFAOYSA-N |
| Mol Weight | 250.39 g/mol |
| Molecular Formula | C12H10S3 |
| Exact Mass | 249.994464 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AITiPnVhhEz |
|---|---|
| Name | 4,4'-Thiobisbenzenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.994463844 u |
| Formula | C12H10S3 |
| InChI | InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H |
| InChIKey | JLLMOYPIVVKFHY-UHFFFAOYSA-N |
| Molecular Weight | 250.392 g/mol |
| SMILES | C1(SC2=CC=C(C=C2)S)=CC=C(C=C1)S |
| Spectrum/Structure Validation Score (Raman) | 0.957962 |