| SpectraBase Compound ID | En15kf9RqX6 |
|---|---|
| InChI | InChI=1S/C21H23N3O4/c1-3-14(2)19(23-20(25)16-7-5-4-6-8-16)21(26)24-22-12-15-9-10-17-18(11-15)28-13-27-17/h4-12,14,19H,3,13H2,1-2H3,(H,23,25)(H,24,26)/b22-12+ |
| InChIKey | CMURZUKUBCLVCZ-WSDLNYQXSA-N |
| Mol Weight | 381.43 g/mol |
| Molecular Formula | C21H23N3O4 |
| Exact Mass | 381.168856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sXF8UXPbDt |
|---|---|
| Name | N2-Benzoylisoleucine N'-piperonylidenehydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.168856229 u |
| Formula | C21H23N3O4 |
| InChI | InChI=1S/C21H23N3O4/c1-3-14(2)19(23-20(25)16-7-5-4-6-8-16)21(26)24-22-12-15-9-10-17-18(11-15)28-13-27-17/h4-12,14,19H,3,13H2,1-2H3,(H,23,25)(H,24,26)/b22-12+ |
| InChIKey | CMURZUKUBCLVCZ-WSDLNYQXSA-N |
| Molecular Weight | 381.432 g/mol |
| SMILES | N(C(c1ccccc1)=O)C(C(=O)N\N=C\c1cc2OCOc2cc1)C(CC)C |