| SpectraBase Compound ID | I2ZQdh6sagt |
|---|---|
| InChI | InChI=1S/C9H12S/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | VRWTYTHRWWKAGO-UHFFFAOYSA-N |
| Mol Weight | 152.25 g/mol |
| Molecular Formula | C9H12S |
| Exact Mass | 152.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7StcGynFnIB |
|---|---|
| Name | (1-(Methylthio)ethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.065971560 u |
| Formula | C9H12S |
| InChI | InChI=1S/C9H12S/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | VRWTYTHRWWKAGO-UHFFFAOYSA-N |
| Molecular Weight | 152.255 g/mol |
| SMILES | C1=CC(=CC=C1)C(SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938035 |