| SpectraBase Compound ID | 3Y5WzgKt3fP |
|---|---|
| InChI | InChI=1S/C8H10N4O4/c1-2-11(8(9)13)10-5-6-3-4-7(16-6)12(14)15/h3-5H,2H2,1H3,(H2,9,13)/b10-5+ |
| InChIKey | JGPNCLKRECLYTO-BJMVGYQFSA-N |
| Mol Weight | 226.19 g/mol |
| Molecular Formula | C8H10N4O4 |
| Exact Mass | 226.070205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3j8fE7X1adK |
|---|---|
| Name | Nifursemizone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.070204814 u |
| Formula | C8H10N4O4 |
| InChI | InChI=1S/C8H10N4O4/c1-2-11(8(9)13)10-5-6-3-4-7(16-6)12(14)15/h3-5H,2H2,1H3,(H2,9,13)/b10-5+ |
| InChIKey | JGPNCLKRECLYTO-BJMVGYQFSA-N |
| Molecular Weight | 226.192 g/mol |
| SMILES | CCN(\N=C\C=1OC(N(=O)=O)=CC1)C(N)=O |