| SpectraBase Compound ID | NMZ6dvHm8l |
|---|---|
| InChI | InChI=1S/C22H31NO2/c1-5-22(24)13-10-19-17-7-6-15-14-16(23-25-4)8-11-20(15,2)18(17)9-12-21(19,22)3/h1,14,17-19,24H,6-13H2,2-4H3/b23-16+ |
| InChIKey | ZTYPMIIIXHJPTI-XQNSMLJCSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C22H31NO2 |
| Exact Mass | 341.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cm0Puzc64gF |
|---|---|
| Name | Ethisterone, o-methyloxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.235479240 u |
| Formula | C22H31NO2 |
| InChI | InChI=1S/C22H31NO2/c1-5-22(24)13-10-19-17-7-6-15-14-16(23-25-4)8-11-20(15,2)18(17)9-12-21(19,22)3/h1,14,17-19,24H,6-13H2,2-4H3/b23-16+ |
| InChIKey | ZTYPMIIIXHJPTI-XQNSMLJCSA-N |
| Molecular Weight | 341.495 g/mol |
| SMILES | C12(CC\C(C=C2CCC2C1CCC1(C2CCC1(O)C#C)C)=N/OC)C |