| SpectraBase Compound ID | 2JoMUFxKApB |
|---|---|
| InChI | InChI=1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3 |
| InChIKey | ABROBCBIIWHVNS-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 | DhZsZY5iYzj |
|---|---|
| Name | 2-Ethylbenzenethiol |
| 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/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3 |
| InChIKey | ABROBCBIIWHVNS-UHFFFAOYSA-N |
| Molecular Weight | 138.228 g/mol |
| SMILES | C(C)C1=C(C=CC=C1)S |
| Spectrum/Structure Validation Score (Raman) | 0.992166 |