| SpectraBase Compound ID | EZZBsP0c5Xb |
|---|---|
| InChI | InChI=1S/C21H34N2O2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23-25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19,24-25H,4-12H2,1-3H3/b22-13+,23-15+/t14?,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | NARXIQSVYIHTAR-CCINJYCOSA-N |
| Mol Weight | 346.5 g/mol |
| Molecular Formula | C21H34N2O2 |
| Exact Mass | 346.262028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMEJ9FgGR7Z |
|---|---|
| Name | Pregnane-3,20-dione dioxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.262028341 u |
| Formula | C21H34N2O2 |
| InChI | InChI=1S/C21H34N2O2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23-25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19,24-25H,4-12H2,1-3H3/b22-13+,23-15+/t14?,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | NARXIQSVYIHTAR-CCINJYCOSA-N |
| Molecular Weight | 346.515 g/mol |
| SMILES | C1\C(CC2[C@](C1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)(\C(C)=N\O)[H])C)[H])[H])[H])C)=N/O |