| SpectraBase Compound ID | 2MTGg3B8nSn |
|---|---|
| InChI | InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C21H26O2 |
| Exact Mass | 310.19328 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FJf0oBOtKYy |
|---|---|
| Name | Mestranol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C21H26O2 |
| InChI | InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
| SMILES | O[C@@]1([C@@]2([C@]([C@]3([C@@](c4c(cc(OC)cc4)CC3)(CC2)[H])[H])(CC1)[H])C)C#C |
| SPLASH | splash10-01t9-3952000000-fa77c3172b8427baff74 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |