| SpectraBase Compound ID | 7iOWyh7KO4G |
|---|---|
| InChI | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | BFPYWIDHMRZLRN-SLHNCBLASA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C20H24O2 |
| Exact Mass | 296.17763 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4glj3gJvyw0 |
|---|---|
| Name | Ethynylestradiol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C20H24O2 |
| InChI | InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey | BFPYWIDHMRZLRN-SLHNCBLASA-N |
| SMILES | O[C@@]1([C@]2(CC[C@]3([C@@](CCc4c3ccc(c4)O)([C@@]2(CC1)[H])[H])[H])C)C#C |
| SPLASH | splash10-03dj-3980000000-733efaa9621064343ce4 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |