| SpectraBase Compound ID | IDu5vrSW9YA |
|---|---|
| InChI | InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | IHLDFHCSSCVPQW-UHFFFAOYSA-N |
| Mol Weight | 158.65 g/mol |
| Molecular Formula | C7H7ClS |
| Exact Mass | 157.995699 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HF0oMti8Nf6 |
|---|---|
| Name | 1-Chloro-2-methylsulfanylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.995699099 u |
| Formula | C7H7ClS |
| InChI | InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3 |
| InChIKey | IHLDFHCSSCVPQW-UHFFFAOYSA-N |
| SMILES | CSC1=CC=CC=C1Cl |
| Spectrum/Structure Validation Score (Raman) | 0.948105 |