| SpectraBase Compound ID | Dh9k1R5gWJp |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10-11,15-17H,2,4,6-9H2,1H3 |
| InChIKey | GOZPPZIYUYYOIF-UHFFFAOYSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aVNozfLmDG |
|---|---|
| Name | Estrone, formate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10-11,15-17H,2,4,6-9H2,1H3 |
| InChIKey | GOZPPZIYUYYOIF-UHFFFAOYSA-N |
| SMILES | CC12C(C3CCC=4C(C3CC1)=CC=C(OC=O)C4)CCC2=O |