| SpectraBase Compound ID | 8k1ELJhlWjq |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3 |
| InChIKey | NVUUMOOKVFONOM-UHFFFAOYSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XDEhcytXRq |
|---|---|
| Name | 19-Norpregn-4-ene-3,20-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3 |
| InChIKey | NVUUMOOKVFONOM-UHFFFAOYSA-N |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@@]2(C(CC3)=CC(CC2)=O)[H])[H])[H])(CC[C@@]1(C(C)=O)[H])[H] |