SpectraBase Compound ID | 2eDiqbzdnhK |
---|---|
InChI | InChI=1S/C6H4N2OS/c9-5-1-2-8-3-4-10-6(8)7-5/h1-4H |
InChIKey | RJNRPLUDGBXSTI-UHFFFAOYSA-N |
Mol Weight | 152.17 g/mol |
Molecular Formula | C6H4N2OS |
Exact Mass | 152.004434 g/mol |
SpectraBase Spectrum ID | IwOre1dNuxU |
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Name | 7H-[1,3]Thiazolo[3,2-A]pyrimidin-7-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.004433930 u |
Formula | C6H4N2OS |
InChI | InChI=1S/C6H4N2OS/c9-5-1-2-8-3-4-10-6(8)7-5/h1-4H |
InChIKey | RJNRPLUDGBXSTI-UHFFFAOYSA-N |
SMILES | C12=NC(C=CN2C=CS1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965997 |