| SpectraBase Compound ID | 1M76K0o3jOD |
|---|---|
| InChI | InChI=1S/C9H9ClOS/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | FYKDFHHXZAIXDR-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 | 1x11gwA1UEH |
|---|---|
| Name | 3-(Phenylthio)propanoyl chloride |
| 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/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | FYKDFHHXZAIXDR-UHFFFAOYSA-N |
| Molecular Weight | 200.683 g/mol |
| SMILES | C(CCSC=1C=CC=CC1)(=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938711 |