| SpectraBase Compound ID | EtCoybCJCQd |
|---|---|
| InChI | InChI=1S/C12H14N4O6/c1-8(3-6-12(17)22-2)13-14-10-5-4-9(15(18)19)7-11(10)16(20)21/h4-5,7,14H,3,6H2,1-2H3/b13-8+ |
| InChIKey | RKMIQCRJWKZHCK-MDWZMJQESA-N |
| Mol Weight | 310.27 g/mol |
| Molecular Formula | C12H14N4O6 |
| Exact Mass | 310.091334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgApwsH6oyp |
|---|---|
| Name | Methyl 4-(2,4-dinitrophenylhydrazono)valerate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.091334181 u |
| Formula | C12H14N4O6 |
| InChI | InChI=1S/C12H14N4O6/c1-8(3-6-12(17)22-2)13-14-10-5-4-9(15(18)19)7-11(10)16(20)21/h4-5,7,14H,3,6H2,1-2H3/b13-8+ |
| InChIKey | RKMIQCRJWKZHCK-MDWZMJQESA-N |
| Molecular Weight | 310.266 g/mol |
| SMILES | C1=C(C=CC(=C1N(=O)=O)N\N=C\(CCC(=O)OC)C)N(=O)=O |