| SpectraBase Compound ID | BkUp1HoH4ay |
|---|---|
| InChI | InChI=1S/C4H5N3OS/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9) |
| InChIKey | DANMWFUINURCJB-UHFFFAOYSA-N |
| Mol Weight | 143.16 g/mol |
| Molecular Formula | C4H5N3OS |
| Exact Mass | 143.015333 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 46QPi9Ws7wn |
|---|---|
| Name | 4(1H)-Pyrimidinone, 2-amino-6-mercapto- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.015332966 u |
| Formula | C4H5N3OS |
| InChI | InChI=1S/C4H5N3OS/c5-4-6-2(8)1-3(9)7-4/h1H,(H4,5,6,7,8,9) |
| InChIKey | DANMWFUINURCJB-UHFFFAOYSA-N |
| SMILES | C=1(NC(C=C(N1)S)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960613 |