| SpectraBase Compound ID | IgY5IF8mPc2 |
|---|---|
| InChI | InChI=1S/C11H12S/c1-12-11-8-3-2-7-10(11)9-5-4-6-9/h2-3,5,7-8H,4,6H2,1H3 |
| InChIKey | KNQYUFYDNJCHRY-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 | 9KEXUeAlVvv |
|---|---|
| Name | 2-(1-Cyclobutenyl)thioanisole |
| 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/c1-12-11-8-3-2-7-10(11)9-5-4-6-9/h2-3,5,7-8H,4,6H2,1H3 |
| InChIKey | KNQYUFYDNJCHRY-UHFFFAOYSA-N |
| Molecular Weight | 176.277 g/mol |
| SMILES | C1(C=2C(SC)=CC=CC2)=CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901782 |