| SpectraBase Compound ID | BM25frYI8xH |
|---|---|
| InChI | InChI=1S/C16H22N2O3/c19-16-11-5-4-9-15(18(20)21)10-6-12-17(16)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2 |
| InChIKey | HNWAQWMYNBQICO-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C16H22N2O3 |
| Exact Mass | 290.163043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HvFxF4nDtt |
|---|---|
| Name | 2(1H)-Azecinone, octahydro-7-nitro-1-(phenylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.163042573 u |
| Formula | C16H22N2O3 |
| InChI | InChI=1S/C16H22N2O3/c19-16-11-5-4-9-15(18(20)21)10-6-12-17(16)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2 |
| InChIKey | HNWAQWMYNBQICO-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)CCCN(CC2=CC=CC=C2)C(CCCC1)=O |