![(3aR,4Z,9aS,9bR)-4-benzal-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benz[e]isobenzofuran-1,3-quinone](/api/spectrum/GWMDiYUN0S8/structure.png?h=300&w=458 "(3aR,4Z,9aS,9bR)-4-benzal-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benz[e]isobenzofuran-1,3-quinone")
| SpectraBase Compound ID | 4F1htYCbePV |
|---|---|
| InChI | InChI=1S/C20H20O3/c1-12-14-9-5-6-10-15(14)17-18(20(22)23-19(17)21)16(12)11-13-7-3-2-4-8-13/h2-4,7-8,11,15,17-18H,5-6,9-10H2,1H3/b16-11+/t15-,17-,18+/m1/s1 |
| InChIKey | SGRITUVUYUMARA-WSIMKRHRSA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C20H20O3 |
| Exact Mass | 308.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GWMDiYUN0S8 |
|---|---|
| Name | (3aR,4Z,9aS,9bR)-4-benzal-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benz[e]isobenzofuran-1,3-quinone |
| Alternate Name(s) | (3aR,4Z,9aS,9bR)-4-benzylidene-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione (3aR,4Z,9aS,9bR)-4-benzylidene-5-methyl-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3-dione (3aR,4Z,9aS,9bR)-5-methyl-4-(phenylmethylene)-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione (3aR,4Z,9aS,9bR)-5-methyl-4-(phenylmethylidene)-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20O3 |
| InChI | InChI=1S/C20H20O3/c1-12-14-9-5-6-10-15(14)17-18(20(22)23-19(17)21)16(12)11-13-7-3-2-4-8-13/h2-4,7-8,11,15,17-18H,5-6,9-10H2,1H3/b16-11+/t15-,17-,18+/m1/s1 |
| InChIKey | SGRITUVUYUMARA-WSIMKRHRSA-N |
| Molecular Weight | 308.377 g/mol |
| SMILES | [C@@]12(\C(C(=C3[C@]([C@]1(C(OC2=O)=O)[H])(CCCC3)[H])C)=C\c1ccccc1)[H] |
| SPLASH | splash10-0c00-0094000000-1c32ed982a00390a3d76 |
| Source of Spectrum | F-68-7849-15 |
| Wiley ID | 1573505 |