| SpectraBase Compound ID | CxdUxUTEsS9 |
|---|---|
| InChI | InChI=1S/C12H14S/c1-2-10-8-9-12(10)13-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3 |
| InChIKey | PZFNJCSJMYECSG-UHFFFAOYSA-N |
| Mol Weight | 190.3 g/mol |
| Molecular Formula | C12H14S |
| Exact Mass | 190.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AbSyZvQMErb |
|---|---|
| Name | (2-Ethylcyclobuten-1-yl)sulfanylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.081621625 u |
| Formula | C12H14S |
| InChI | InChI=1S/C12H14S/c1-2-10-8-9-12(10)13-11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3 |
| InChIKey | PZFNJCSJMYECSG-UHFFFAOYSA-N |
| Molecular Weight | 190.304 g/mol |
| SMILES | C1(=C(CC)CC1)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805893 |