| SpectraBase Compound ID | 1tv2pvnzEvK |
|---|---|
| InChI | InChI=1S/C8H6N4S2/c13-7-8(14)12-11-6(10-7)5-3-1-2-4-9-5/h1-4H,(H,12,14)(H,10,11,13) |
| InChIKey | QMDQPFLQEXSEHU-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C8H6N4S2 |
| Exact Mass | 222.003389 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GsOkA95f3ul |
|---|---|
| Name | 1,2,4-Triazine-5,6-dithione, 1,2-dihydro-3-(2-pyridinyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.003388557 u |
| Formula | C8H6N4S2 |
| InChI | InChI=1S/C8H6N4S2/c13-7-8(14)12-11-6(10-7)5-3-1-2-4-9-5/h1-4H,(H,12,14)(H,10,11,13) |
| InChIKey | QMDQPFLQEXSEHU-UHFFFAOYSA-N |
| SMILES | C1(=NC(C(NN1)=S)=S)C1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937321 |