| SpectraBase Compound ID | Esg5iw1nIiF |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3 |
| InChIKey | FWJIMKYKNBCAJA-UHFFFAOYSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90RAI68632x |
|---|---|
| Name | Estrolactone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21-18/h3,5,10,14-16,19H,2,4,6-9H2,1H3 |
| InChIKey | FWJIMKYKNBCAJA-UHFFFAOYSA-N |
| SMILES | C1CC2C3C(C4=C(CC3)C=C(O)C=C4)CCC2(OC1=O)C |