| SpectraBase Compound ID | 8jf7zGhbQXK |
|---|---|
| InChI | InChI=1S/C16H22N2O3/c1-12(2)17-13(3)9-16(19)10-15(11-18(20)21)14-7-5-4-6-8-14/h4-9,12,15,17H,10-11H2,1-3H3/b13-9- |
| InChIKey | XLSAPTWNHIRXQS-LCYFTJDESA-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 | HaTNO2kUn2z |
|---|---|
| Name | 2-(N-Isopropylamino)-7-nitro-6-phenylhept-3-en-4-one |
| 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/c1-12(2)17-13(3)9-16(19)10-15(11-18(20)21)14-7-5-4-6-8-14/h4-9,12,15,17H,10-11H2,1-3H3/b13-9- |
| InChIKey | XLSAPTWNHIRXQS-LCYFTJDESA-N |
| SMILES | C(N(=O)=O)C(CC(\C=C\(NC(C)C)C)=O)C=1C=CC=CC1 |