| SpectraBase Compound ID | 5am1fqlgTNq |
|---|---|
| InChI | InChI=1S/C11H12S/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-5,8H,6-7H2,1H3 |
| InChIKey | NLNWCEBQGIRYDU-UHFFFAOYSA-N |
| Mol Weight | 176.28 g/mol |
| Molecular Formula | C11H12S |
| Exact Mass | 176.065972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ILpuhflgmkX |
|---|---|
| Name | 4-(4-Methylphenyl)-2,3-dihydrothiophene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.065971560 u |
| Formula | C11H12S |
| InChI | InChI=1S/C11H12S/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-5,8H,6-7H2,1H3 |
| InChIKey | NLNWCEBQGIRYDU-UHFFFAOYSA-N |
| Molecular Weight | 176.277 g/mol |
| SMILES | C1(C=2C=CC(=CC2)C)=CSCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870225 |