| SpectraBase Compound ID | 9gZpFBcOoJi |
|---|---|
| InChI | InChI=1S/C8H7ClOS/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3 |
| InChIKey | DMYQUIJZJIYZOV-UHFFFAOYSA-N |
| Mol Weight | 186.66 g/mol |
| Molecular Formula | C8H7ClOS |
| Exact Mass | 185.990614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JMwjEGSZERg |
|---|---|
| Name | 3-Chloro-2-(methylsulfanyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.990613718 u |
| Formula | C8H7ClOS |
| InChI | InChI=1S/C8H7ClOS/c1-11-8-6(5-10)3-2-4-7(8)9/h2-5H,1H3 |
| InChIKey | DMYQUIJZJIYZOV-UHFFFAOYSA-N |
| Molecular Weight | 186.656 g/mol |
| SMILES | C(C=1C(=C(C=CC1)Cl)SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938216 |