| SpectraBase Compound ID | FByMi190dty |
|---|---|
| InChI | InChI=1S/C9H9ClOS/c10-7-1-3-8(4-2-7)12(11)9-5-6-9/h1-4,9H,5-6H2 |
| InChIKey | WBTUWZMHFLVRAE-UHFFFAOYSA-N |
| Mol Weight | 200.68 g/mol |
| Molecular Formula | C9H9ClOS |
| Exact Mass | 200.006264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3WoHfxthPbl |
|---|---|
| Name | 1-Chloro-4-(cyclopropylsulfinyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.006263783 u |
| Formula | C9H9ClOS |
| InChI | InChI=1S/C9H9ClOS/c10-7-1-3-8(4-2-7)12(11)9-5-6-9/h1-4,9H,5-6H2 |
| InChIKey | WBTUWZMHFLVRAE-UHFFFAOYSA-N |
| Molecular Weight | 200.683 g/mol |
| SMILES | C=1C=C(S(C2CC2)=O)C=CC1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883228 |