| SpectraBase Compound ID | CnpDZYgsmX9 |
|---|---|
| InChI | InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | WWFIIZLHSNBNTC-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 | BeYwLyYpmOd |
|---|---|
| Name | 2-Chlorobenzenemethanethiol |
| 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/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | WWFIIZLHSNBNTC-UHFFFAOYSA-N |
| SMILES | C1(Cl)=C(C=CC=C1)CS |
| Spectrum/Structure Validation Score (Raman) | 0.985135 |