| SpectraBase Compound ID | 373DVzGlkxt |
|---|---|
| InChI | InChI=1S/C16H21N3O4/c1-12(11-16(20)23-15-5-3-2-4-6-15)17-18-13-7-9-14(10-8-13)19(21)22/h7-10,15,18H,2-6,11H2,1H3/b17-12+ |
| InChIKey | OGCVYXATQVQPJE-SFQUDFHCSA-N |
| Mol Weight | 319.36 g/mol |
| Molecular Formula | C16H21N3O4 |
| Exact Mass | 319.153206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6117x7kTHr |
|---|---|
| Name | Acetoacetic acid, cyclohexyl ester, p-nitrophenylhydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.153206164 u |
| Formula | C16H21N3O4 |
| InChI | InChI=1S/C16H21N3O4/c1-12(11-16(20)23-15-5-3-2-4-6-15)17-18-13-7-9-14(10-8-13)19(21)22/h7-10,15,18H,2-6,11H2,1H3/b17-12+ |
| InChIKey | OGCVYXATQVQPJE-SFQUDFHCSA-N |
| SMILES | N(C1=CC=C(C=C1)N(=O)=O)\N=C\(CC(OC1CCCCC1)=O)C |