| SpectraBase Compound ID | 2VgYgAXuE5d |
|---|---|
| InChI | InChI=1S/C11H14S/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3 |
| InChIKey | HJIBFPJUKQDQOD-UHFFFAOYSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C11H14S |
| Exact Mass | 178.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Am3LlbVOQ1F |
|---|---|
| Name | (Methylthio) - tetralin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.081621625 u |
| Formula | C11H14S |
| InChI | InChI=1S/C11H14S/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3 |
| InChIKey | HJIBFPJUKQDQOD-UHFFFAOYSA-N |
| Molecular Weight | 178.293 g/mol |
| SMILES | C1(CCCC=2C=CC=CC12)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936683 |