| SpectraBase Compound ID | H4n2vxCKvmp |
|---|---|
| InChI | InChI=1S/C8H8S/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2 |
| InChIKey | NADUDFSNHZPLIN-UHFFFAOYSA-N |
| Mol Weight | 136.21 g/mol |
| Molecular Formula | C8H8S |
| Exact Mass | 136.034671 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 28c1ckBvcI0 |
|---|---|
| Name | 2-Ethenylbenzenethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.034671432 u |
| Formula | C8H8S |
| InChI | InChI=1S/C8H8S/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2 |
| InChIKey | NADUDFSNHZPLIN-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC=CC1)C=C)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822685 |