| SpectraBase Compound ID | 5zzbyO9xwwP |
|---|---|
| InChI | InChI=1S/C7H7NS2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3 |
| InChIKey | QVQKQYXDUYQWDI-UHFFFAOYSA-N |
| Mol Weight | 169.26 g/mol |
| Molecular Formula | C7H7NS2 |
| Exact Mass | 169.001992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GSu7EOfrs0k |
|---|---|
| Name | 2-Pyridinecarbodithioic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.001991577 u |
| Formula | C7H7NS2 |
| InChI | InChI=1S/C7H7NS2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3 |
| InChIKey | QVQKQYXDUYQWDI-UHFFFAOYSA-N |
| Molecular Weight | 169.260 g/mol |
| SMILES | C(=S)(C1=NC=CC=C1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953265 |