| SpectraBase Compound ID | 6644qpL1Jdu |
|---|---|
| InChI | InChI=1S/C23H28O3/c1-4-21(24)26-16-7-9-17-15(14-16)6-8-19-18(17)10-12-22(3)20(19)11-13-23(22,25)5-2/h2,7,9,14,18-20,25H,4,6,8,10-13H2,1,3H3 |
| InChIKey | SWOKVUKTFUUZQW-UHFFFAOYSA-N |
| Mol Weight | 352.47 g/mol |
| Molecular Formula | C23H28O3 |
| Exact Mass | 352.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfNnNjcy2zV |
|---|---|
| Name | 17.alpha.-Ethynylestradiol, 3-propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.203844759 u |
| Formula | C23H28O3 |
| InChI | InChI=1S/C23H28O3/c1-4-21(24)26-16-7-9-17-15(14-16)6-8-19-18(17)10-12-22(3)20(19)11-13-23(22,25)5-2/h2,7,9,14,18-20,25H,4,6,8,10-13H2,1,3H3 |
| InChIKey | SWOKVUKTFUUZQW-UHFFFAOYSA-N |
| Molecular Weight | 352.474 g/mol |
| SMILES | CCC(=O)OC1=CC2=C(C3CCC4(C(CCC4C3CC2)(O)C#C)C)C=C1 |