| SpectraBase Spectrum ID |
JJKIPAsN1km |
| Name |
Ethinylestradiol |
| CAS Registry Number |
57-63-6 |
| Classification |
Oral contraceptive, estrogen |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
296.410 g/mol |
| Nominal Mass |
296 u |
| Quality |
979 |
| Retention Index |
2686 |
| SMILES |
OC1=CC2=C([C@@]3([C@]([C@]4([C@@]([C@@](CC4)(C#C)O)(CC3)C)[H])(CC2)[H])[H])C=C1 |
| SPLASH |
splash10-03di-2950000000-4d021644200a0ba4fe4e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ethynylestradiol
19-Nor-17alpha-Pregna-1,3,5(10)trien-20-yne-3,17-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010615 |
