| SpectraBase Compound ID | GJguW7cDSPx |
|---|---|
| InChI | InChI=1S/C18H19N3O4/c1-14(19-20-16-7-9-17(10-8-16)21(23)24)13-18(22)25-12-11-15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3/b19-14+ |
| InChIKey | HQCFXJDQXKWAIE-XMHGGMMESA-N |
| Mol Weight | 341.37 g/mol |
| Molecular Formula | C18H19N3O4 |
| Exact Mass | 341.137556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DThAd2Bq1ti |
|---|---|
| Name | Acetoacetic acid, phenethyl ester, p-dinitrophenylhydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.137556100 u |
| Formula | C18H19N3O4 |
| InChI | InChI=1S/C18H19N3O4/c1-14(19-20-16-7-9-17(10-8-16)21(23)24)13-18(22)25-12-11-15-5-3-2-4-6-15/h2-10,20H,11-13H2,1H3/b19-14+ |
| InChIKey | HQCFXJDQXKWAIE-XMHGGMMESA-N |
| SMILES | N(=O)(=O)C=1C=CC(=CC1)N\N=C\(CC(OCCC1=CC=CC=C1)=O)C |