| SpectraBase Compound ID | DCdRWjBBSV5 |
|---|---|
| InChI | InChI=1S/C4H4N4O3/c5-3-2(8(10)11)1-6-4(9)7-3/h1H,(H3,5,6,7,9) |
| InChIKey | SPDBZGFVYQCVIU-UHFFFAOYSA-N |
| Mol Weight | 156.1 g/mol |
| Molecular Formula | C4H4N4O3 |
| Exact Mass | 156.02834 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 95aZ5XOiM3n |
|---|---|
| Name | 5-Nitrocytosine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.028340002 u |
| Formula | C4H4N4O3 |
| InChI | InChI=1S/C4H4N4O3/c5-3-2(8(10)11)1-6-4(9)7-3/h1H,(H3,5,6,7,9) |
| InChIKey | SPDBZGFVYQCVIU-UHFFFAOYSA-N |
| SMILES | N1C(N=C(C(=C1)N(=O)=O)N)=O |
| Spectrum/Structure Validation Score (Raman) | 0.985168 |