| SpectraBase Compound ID | 1CYKe1W6CqB |
|---|---|
| InChI | InChI=1S/C12H15N5O3/c1-7-5-3-4-6-9(7)14-11(18)10(17-20)8(2)15-16-12(13)19/h3-6,20H,1-2H3,(H,14,18)(H3,13,16,19)/b15-8+,17-10? |
| InChIKey | QXVGFKMPHMQVBQ-RFOKAUBISA-N |
| Mol Weight | 277.28 g/mol |
| Molecular Formula | C12H15N5O3 |
| Exact Mass | 277.117489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wURcb0jzfM |
|---|---|
| Name | 2,3-Dioxo-o-butyrotoluidine, 2-oxime 3-semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.117489360 u |
| Formula | C12H15N5O3 |
| InChI | InChI=1S/C12H15N5O3/c1-7-5-3-4-6-9(7)14-11(18)10(17-20)8(2)15-16-12(13)19/h3-6,20H,1-2H3,(H,14,18)(H3,13,16,19)/b15-8+,17-10? |
| InChIKey | QXVGFKMPHMQVBQ-RFOKAUBISA-N |
| SMILES | N(C(C(=NO)\C(=N\NC(=O)N)C)=O)C=1C=CC=CC1C |