| SpectraBase Compound ID | FpHBDCvzYVt |
|---|---|
| InChI | InChI=1S/C11H13N3O3/c1-7(13-14-11(12)15)4-8-2-3-9-10(5-8)17-6-16-9/h2-3,5H,4,6H2,1H3,(H3,12,14,15)/b13-7+ |
| InChIKey | CWQPEJVAIFGOIP-NTUHNPAUSA-N |
| Mol Weight | 235.24 g/mol |
| Molecular Formula | C11H13N3O3 |
| Exact Mass | 235.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zuLa8LVEqj |
|---|---|
| Name | 3,4-Methylenedioxyphenyl-2-propanone semicarbazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.095691288 u |
| Formula | C11H13N3O3 |
| InChI | InChI=1S/C11H13N3O3/c1-7(13-14-11(12)15)4-8-2-3-9-10(5-8)17-6-16-9/h2-3,5H,4,6H2,1H3,(H3,12,14,15)/b13-7+ |
| InChIKey | CWQPEJVAIFGOIP-NTUHNPAUSA-N |
| Molecular Weight | 235.243 g/mol |
| SMILES | C(=O)(N)N\N=C/(C)CC1=CC=C2OCOC2=C1 |