![hexanoic acid, 6-(butylamino)-6-oxo-, 2-[(E)-[4-(phenylmethoxy)phenyl]methylidene]hydrazide](/api/spectrum/DU9WjDicuAc/structure.png?h=300&w=458 "hexanoic acid, 6-(butylamino)-6-oxo-, 2-[(E)-[4-(phenylmethoxy)phenyl]methylidene]hydrazide")
| SpectraBase Compound ID | 4n3DIVdElb8 |
|---|---|
| InChI | InChI=1S/C24H31N3O3/c1-2-3-17-25-23(28)11-7-8-12-24(29)27-26-18-20-13-15-22(16-14-20)30-19-21-9-5-4-6-10-21/h4-6,9-10,13-16,18H,2-3,7-8,11-12,17,19H2,1H3,(H,25,28)(H,27,29)/b26-18+ |
| InChIKey | PEFMGHNLKOIODY-NLRVBDNBSA-N |
| Mol Weight | 409.53 g/mol |
| Molecular Formula | C24H31N3O3 |
| Exact Mass | 409.236542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DU9WjDicuAc |
|---|---|
| Name | Hexanoic acid, 6-(butylamino)-6-oxo-, 2-[(E)-[4-(phenylmethoxy)phenyl]methylidene]hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.236541867 u |
| Formula | C24H31N3O3 |
| InChI | InChI=1S/C24H31N3O3/c1-2-3-17-25-23(28)11-7-8-12-24(29)27-26-18-20-13-15-22(16-14-20)30-19-21-9-5-4-6-10-21/h4-6,9-10,13-16,18H,2-3,7-8,11-12,17,19H2,1H3,(H,25,28)(H,27,29)/b26-18+ |
| InChIKey | PEFMGHNLKOIODY-NLRVBDNBSA-N |
| Molecular Weight | 409.530 g/mol |
| SMILES | N(C(CCCCC(=O)NCCCC)=O)\N=C\C1=CC=C(OCC=2C=CC=CC2)C=C1 |