| SpectraBase Compound ID | FdWO28eaoAc |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-11(21)24-12-3-4-13-14-7-8-20(2)17(5-6-19(20)23)15(14)10-18(22)16(13)9-12/h3-4,9,14-15,17H,5-8,10H2,1-2H3 |
| InChIKey | AEDBWXZHICCQMQ-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CPfxN6Ng4fL |
|---|---|
| Name | 6,17-Dioxoestra-1,3,5(10)-trien-3-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-11(21)24-12-3-4-13-14-7-8-20(2)17(5-6-19(20)23)15(14)10-18(22)16(13)9-12/h3-4,9,14-15,17H,5-8,10H2,1-2H3 |
| InChIKey | AEDBWXZHICCQMQ-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | CC(=O)OC=1C=CC2=C(C1)C(CC1C2CCC2(C)C1CCC2=O)=O |