| SpectraBase Compound ID | BqwNGqtoa6c |
|---|---|
| InChI | InChI=1S/C21H26O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h1,6,13,17-19H,5,7-12H2,2-3H3 |
| InChIKey | HOPOASQXMWPXSG-UHFFFAOYSA-N |
| Mol Weight | 294.44 g/mol |
| Molecular Formula | C21H26O |
| Exact Mass | 294.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZeLTeVSy6L |
|---|---|
| Name | Norgestrel -H2O @P872 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.198365456 u |
| Formula | C21H26O |
| InChI | InChI=1S/C21H26O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h1,6,13,17-19H,5,7-12H2,2-3H3 |
| InChIKey | HOPOASQXMWPXSG-UHFFFAOYSA-N |
| SMILES | C12(C(=CC(CC2)=O)CCC2C3C(C(C#C)=CC3)(C)CCC12)C |