| SpectraBase Compound ID | DXpWuSTxuQP |
|---|---|
| InChI | InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3 |
| InChIKey | AIBFRTWVQFOKIS-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C19H24O2 |
| Exact Mass | 284.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AVQwhnuOz1 |
|---|---|
| Name | Estra-1,3,5(10)-triene-1-methyl-3-ol-17-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.177630011 u |
| Formula | C19H24O2 |
| InChI | InChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h9-10,14-16,20H,3-8H2,1-2H3 |
| InChIKey | AIBFRTWVQFOKIS-UHFFFAOYSA-N |
| SMILES | CC12C(C3C(c4c(CC3)cc(O)cc4C)CC2)CCC1=O |