| SpectraBase Compound ID | 72yCGa0iBBw |
|---|---|
| InChI | InChI=1S/C21H26N2O3/c1-2-3-4-5-9-16-22(17-18-10-7-6-8-11-18)21(24)19-12-14-20(15-13-19)23(25)26/h6-8,10-15H,2-5,9,16-17H2,1H3 |
| InChIKey | IEABBHAMUWWKPF-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C21H26N2O3 |
| Exact Mass | 354.194343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3iRLenMClsM |
|---|---|
| Name | Benzamide, 4-nitro-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.194342702 u |
| Formula | C21H26N2O3 |
| InChI | InChI=1S/C21H26N2O3/c1-2-3-4-5-9-16-22(17-18-10-7-6-8-11-18)21(24)19-12-14-20(15-13-19)23(25)26/h6-8,10-15H,2-5,9,16-17H2,1H3 |
| InChIKey | IEABBHAMUWWKPF-UHFFFAOYSA-N |
| Molecular Weight | 354.450 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)N(=O)=O |