| SpectraBase Compound ID | CO6X49VdKKE |
|---|---|
| InChI | InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 |
| InChIKey | NHAUBUMQRJWWAT-UHFFFAOYSA-N |
| Mol Weight | 138.23 g/mol |
| Molecular Formula | C8H10S |
| Exact Mass | 138.050321 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 17MUXWwX08g |
|---|---|
| Name | 2,5-Dimethylbenzenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.050321496 u |
| Formula | C8H10S |
| InChI | InChI=1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 |
| InChIKey | NHAUBUMQRJWWAT-UHFFFAOYSA-N |
| Molecular Weight | 138.228 g/mol |
| SMILES | CC1=C(C=C(C=C1)C)S |
| Spectrum/Structure Validation Score (Raman) | 0.883406 |