| SpectraBase Compound ID | FhpPfCCaSBi |
|---|---|
| InChI | InChI=1S/C24H27F3O3/c1-4-22-13-14(3)20-17-9-7-16(28)12-15(17)6-8-18(20)19(22)10-11-23(22,5-2)30-21(29)24(25,26)27/h2,12,17-20H,3-4,6-11,13H2,1H3 |
| InChIKey | YOJNSSPODCLEHN-UHFFFAOYSA-N |
| Mol Weight | 420.47 g/mol |
| Molecular Formula | C24H27F3O3 |
| Exact Mass | 420.191229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43S8CzBBTrx |
|---|---|
| Name | Etonogestrel tfa P1509 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.191229215 u |
| Formula | C24H27F3O3 |
| InChI | InChI=1S/C24H27F3O3/c1-4-22-13-14(3)20-17-9-7-16(28)12-15(17)6-8-18(20)19(22)10-11-23(22,5-2)30-21(29)24(25,26)27/h2,12,17-20H,3-4,6-11,13H2,1H3 |
| InChIKey | YOJNSSPODCLEHN-UHFFFAOYSA-N |
| Molecular Weight | 420.472 g/mol |
| SMILES | C1C2C(=CC(C1)=O)CCC1C2C(CC2(C1CCC2(C#C)OC(C(F)(F)F)=O)CC)=C |