![N'-[(E)-9-anthracenylmethylideneamino]-N-cyclohexylbutanediamide](/api/spectrum/58sS21B0yyN/structure.png?h=300&w=458 "N'-[(E)-9-anthracenylmethylideneamino]-N-cyclohexylbutanediamide")
| SpectraBase Compound ID | 7s7bD2Q2a2F |
|---|---|
| InChI | InChI=1S/C25H27N3O2/c29-24(27-20-10-2-1-3-11-20)14-15-25(30)28-26-17-23-21-12-6-4-8-18(21)16-19-9-5-7-13-22(19)23/h4-9,12-13,16-17,20H,1-3,10-11,14-15H2,(H,27,29)(H,28,30)/b26-17+ |
| InChIKey | HZGXTXQLCVXZLD-YZSQISJMSA-N |
| Mol Weight | 401.51 g/mol |
| Molecular Formula | C25H27N3O2 |
| Exact Mass | 401.210327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58sS21B0yyN |
|---|---|
| Name | N'-[(E)-9-anthracenylmethylideneamino]-N-cyclohexylbutanediamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.210327119 u |
| Formula | C25H27N3O2 |
| InChI | InChI=1S/C25H27N3O2/c29-24(27-20-10-2-1-3-11-20)14-15-25(30)28-26-17-23-21-12-6-4-8-18(21)16-19-9-5-7-13-22(19)23/h4-9,12-13,16-17,20H,1-3,10-11,14-15H2,(H,27,29)(H,28,30)/b26-17+ |
| InChIKey | HZGXTXQLCVXZLD-YZSQISJMSA-N |
| Molecular Weight | 401.510 g/mol |
| SMILES | C=1(C2=C(C=CC=C2)C=C2C1C=CC=C2)\C=N\NC(=O)CCC(NC1CCCCC1)=O |