| SpectraBase Compound ID | BoAqBZd04hP |
|---|---|
| InChI | InChI=1S/C13H16N2O3/c16-13(10-5-2-1-3-6-10)14-11-7-4-8-12(9-11)15(17)18/h4,7-10H,1-3,5-6H2,(H,14,16) |
| InChIKey | NXZZAYCXUXBWPA-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C13H16N2O3 |
| Exact Mass | 248.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AtryGa4PANn |
|---|---|
| Name | Cyclohexanecarboxamide, N-(3-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.116092380 u |
| Formula | C13H16N2O3 |
| InChI | InChI=1S/C13H16N2O3/c16-13(10-5-2-1-3-6-10)14-11-7-4-8-12(9-11)15(17)18/h4,7-10H,1-3,5-6H2,(H,14,16) |
| InChIKey | NXZZAYCXUXBWPA-UHFFFAOYSA-N |
| Molecular Weight | 248.282 g/mol |
| SMILES | C1C(CCCC1)C(NC=1C=C(C=CC1)N(=O)=O)=O |