SpectraBase Compound ID | 3R4yySY8Ohf |
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InChI | InChI=1S/C7H8N4O/c1-4-3-8-5(2)6-9-10-7(12)11(4)6/h3H,1-2H3,(H,10,12) |
InChIKey | GGHJGGPOPYOALP-UHFFFAOYSA-N |
Mol Weight | 164.17 g/mol |
Molecular Formula | C7H8N4O |
Exact Mass | 164.069811 g/mol |
SpectraBase Spectrum ID | AWsV1Ujt2D2 |
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Name | 5,8-Dimethyl-3-hydroxy-S-triazolo[4,3-A]pyrazine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 164.069810893 u |
Formula | C7H8N4O |
InChI | InChI=1S/C7H8N4O/c1-4-3-8-5(2)6-9-10-7(12)11(4)6/h3H,1-2H3,(H,10,12) |
InChIKey | GGHJGGPOPYOALP-UHFFFAOYSA-N |
Molecular Weight | 164.168 g/mol |
SMILES | C1=2N(C(NN2)=O)C(=CN=C1C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875577 |