![ethyl (2E)-4-{2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}-4-oxo-2-butenoate](/api/spectrum/IezkxfOhIDv/structure.png?h=300&w=458 "ethyl (2E)-4-{2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}-4-oxo-2-butenoate")
| SpectraBase Compound ID | JWjBW0DPZ8b |
|---|---|
| InChI | InChI=1S/C17H21N3O5/c1-2-25-17(24)11-10-16(23)20-19-15(22)9-8-14(21)18-12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,18,21)(H,19,22)(H,20,23)/b11-10+ |
| InChIKey | OXXZVVVUYPODIS-ZHACJKMWSA-N |
| Mol Weight | 347.37 g/mol |
| Molecular Formula | C17H21N3O5 |
| Exact Mass | 347.148121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IezkxfOhIDv |
|---|---|
| Name | Ethyl (2E)-4-{2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}-4-oxo-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.148120783 u |
| Formula | C17H21N3O5 |
| InChI | InChI=1S/C17H21N3O5/c1-2-25-17(24)11-10-16(23)20-19-15(22)9-8-14(21)18-12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H,18,21)(H,19,22)(H,20,23)/b11-10+ |
| InChIKey | OXXZVVVUYPODIS-ZHACJKMWSA-N |
| Molecular Weight | 347.371 g/mol |
| SMILES | N(C(=O)\C=C\C(=O)OCC)NC(CCC(=O)NCC1=CC=CC=C1)=O |