![2-Cyano-N-[cyclohexylcarbamoyl(4'-oxo-4H-chromen-3'-yl)methyl]-N-phenylacetamide](/api/spectrum/8FRa6ypDIts/structure.png?h=300&w=458 "2-Cyano-N-[cyclohexylcarbamoyl(4'-oxo-4H-chromen-3'-yl)methyl]-N-phenylacetamide")
| SpectraBase Compound ID | AtSdEXXob72 |
|---|---|
| InChI | InChI=1S/C26H25N3O4/c27-16-15-23(30)29(19-11-5-2-6-12-19)24(26(32)28-18-9-3-1-4-10-18)21-17-33-22-14-8-7-13-20(22)25(21)31/h2,5-8,11-14,17-18,24H,1,3-4,9-10,15H2,(H,28,32) |
| InChIKey | JHWNJMSJXDFIDK-UHFFFAOYSA-N |
| Mol Weight | 443.5 g/mol |
| Molecular Formula | C26H25N3O4 |
| Exact Mass | 443.184506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FRa6ypDIts |
|---|---|
| Name | 2-Cyano-N-[cyclohexylcarbamoyl(4'-oxo-4H-chromen-3'-yl)methyl]-N-phenylacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 443.184506293 u |
| Formula | C26H25N3O4 |
| InChI | InChI=1S/C26H25N3O4/c27-16-15-23(30)29(19-11-5-2-6-12-19)24(26(32)28-18-9-3-1-4-10-18)21-17-33-22-14-8-7-13-20(22)25(21)31/h2,5-8,11-14,17-18,24H,1,3-4,9-10,15H2,(H,28,32) |
| InChIKey | JHWNJMSJXDFIDK-UHFFFAOYSA-N |
| Molecular Weight | 443.503 g/mol |
| SMILES | C=1(C(C(NC2CCCCC2)=O)N(C(CC#N)=O)C=2C=CC=CC2)C(C=2C=CC=CC2OC1)=O |