![1-Azabicyclo[2.2.2]octan-3-one, 2-[(2-nitrophenyl)methylidene]-](/api/spectrum/B3bm17yC4Fz/structure.png?h=300&w=458 "1-Azabicyclo[2.2.2]octan-3-one, 2-[(2-nitrophenyl)methylidene]-")
| SpectraBase Compound ID | 5AfmojgNz0s |
|---|---|
| InChI | InChI=1S/C14H14N2O3/c17-14-10-5-7-15(8-6-10)13(14)9-11-3-1-2-4-12(11)16(18)19/h1-4,9-10H,5-8H2/b13-9- |
| InChIKey | OZMJEMCURXIPBW-LCYFTJDESA-N |
| Mol Weight | 258.28 g/mol |
| Molecular Formula | C14H14N2O3 |
| Exact Mass | 258.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3bm17yC4Fz |
|---|---|
| Name | 1-Azabicyclo[2.2.2]octan-3-one, 2-[(2-nitrophenyl)methylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.100442316 u |
| Formula | C14H14N2O3 |
| InChI | InChI=1S/C14H14N2O3/c17-14-10-5-7-15(8-6-10)13(14)9-11-3-1-2-4-12(11)16(18)19/h1-4,9-10H,5-8H2/b13-9- |
| InChIKey | OZMJEMCURXIPBW-LCYFTJDESA-N |
| SMILES | C1CN2\C(C(C1CC2)=O)=C\C=1C(=CC=CC1)N(=O)=O |