| SpectraBase Compound ID | BqFGCi319eI |
|---|---|
| InChI | InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)8-3-7/h2H,1H3,(H2,8,9,10,11) |
| InChIKey | WGBRHUINONWPFT-UHFFFAOYSA-N |
| Mol Weight | 150.14 g/mol |
| Molecular Formula | C6H6N4O |
| Exact Mass | 150.054161 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JqThoJWFS9B |
|---|---|
| Name | 4-Hydroxy-6-methyl-delta^2^(^1^H^)^,^N-pyrimidinecarbamonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.054160828 u |
| Formula | C6H6N4O |
| InChI | InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)8-3-7/h2H,1H3,(H2,8,9,10,11) |
| InChIKey | WGBRHUINONWPFT-UHFFFAOYSA-N |
| SMILES | N1\C(N=C(C=C1C)O)=N\C#N |
| Spectrum/Structure Validation Score (Raman) | 0.93329 |