| SpectraBase Compound ID | 7HAlGnLoVX9 |
|---|---|
| InChI | InChI=1S/C21H28O3/c1-20-11-9-17-16-8-6-15(22-2)13-14(16)5-7-18(17)19(20)10-12-21(20,23-3)24-4/h6,8-9,13,18-19H,5,7,10-12H2,1-4H3 |
| InChIKey | BIYRJNUTJFOQPQ-UHFFFAOYSA-N |
| Mol Weight | 328.45 g/mol |
| Molecular Formula | C21H28O3 |
| Exact Mass | 328.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwiLzhRO9Mp |
|---|---|
| Name | 9,11-Didehydrooestriol, trimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.203844759 u |
| Formula | C21H28O3 |
| InChI | InChI=1S/C21H28O3/c1-20-11-9-17-16-8-6-15(22-2)13-14(16)5-7-18(17)19(20)10-12-21(20,23-3)24-4/h6,8-9,13,18-19H,5,7,10-12H2,1-4H3 |
| InChIKey | BIYRJNUTJFOQPQ-UHFFFAOYSA-N |
| Molecular Weight | 328.452 g/mol |
| SMILES | C12=CC=C(C=C2CCC2C1=CCC1(C2CCC1(OC)OC)C)OC |