| SpectraBase Compound ID | 3wZWyanD25M |
|---|---|
| InChI | InChI=1S/C6H9N3O2S/c1-8-5(10)4(12-3)7-9(2)6(8)11/h1-3H3 |
| InChIKey | BZBHQNRIWHCJTA-UHFFFAOYSA-N |
| Mol Weight | 187.22 g/mol |
| Molecular Formula | C6H9N3O2S |
| Exact Mass | 187.041548 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9VkXh0YeVrX |
|---|---|
| Name | 1,2,4-Triazine-3,5(2H,4H)-dione, 2,4-dimethyl-6-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.041547714 u |
| Formula | C6H9N3O2S |
| InChI | InChI=1S/C6H9N3O2S/c1-8-5(10)4(12-3)7-9(2)6(8)11/h1-3H3 |
| InChIKey | BZBHQNRIWHCJTA-UHFFFAOYSA-N |
| Molecular Weight | 187.217 g/mol |
| SMILES | CSC1=NN(C(N(C1=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955754 |