![(3,8A-Dimethyl-5-methylidene-2-oxo-4A,6,7,8,9,9A-hexahydro-4H-benzo[F][1]benzofuran-8-yl) acetate](/api/spectrum/L57agcvwO9s/structure.png?h=300&w=458 "(3,8A-Dimethyl-5-methylidene-2-oxo-4A,6,7,8,9,9A-hexahydro-4H-benzo[F][1]benzofuran-8-yl) acetate")
| SpectraBase Compound ID | 3kgJNfXI0kl |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-9-5-6-15(20-11(3)18)17(4)8-14-12(7-13(9)17)10(2)16(19)21-14/h13-15H,1,5-8H2,2-4H3 |
| InChIKey | PQZAVXWUUFLUKB-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L57agcvwO9s |
|---|---|
| Name | (3,8A-Dimethyl-5-methylidene-2-oxo-4A,6,7,8,9,9A-hexahydro-4H-benzo[F][1]benzofuran-8-yl) acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-9-5-6-15(20-11(3)18)17(4)8-14-12(7-13(9)17)10(2)16(19)21-14/h13-15H,1,5-8H2,2-4H3 |
| InChIKey | PQZAVXWUUFLUKB-UHFFFAOYSA-N |
| SMILES | C1CC(C2CC=3C(CC2(C1OC(=O)C)C)OC(C3C)=O)=C |