![2-[2-(3-Ethoxy-3-phenylallyl)-5-isopropenyl-2-methyl-3-oxocyclohexyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one isomer](/api/spectrum/8dkNDjN3NWq/structure.png?h=300&w=458 "2-[2-(3-Ethoxy-3-phenylallyl)-5-isopropenyl-2-methyl-3-oxocyclohexyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one isomer")
| SpectraBase Compound ID | 7GZjaV9nLpa |
|---|---|
| InChI | InChI=1S/C32H38O4/c1-6-36-29(22-10-8-7-9-11-22)16-17-32(4)28(19-24(21(2)3)20-30(32)33)27-14-12-23-18-25(35-5)13-15-26(23)31(27)34/h7-11,13,15-16,18,24,27-28H,2,6,12,14,17,19-20H2,1,3-5H3/b29-16-/t24-,27?,28+,32+/m1/s1 |
| InChIKey | PGQLBXKFCDRNTP-GZXRBNRWSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C32H38O4 |
| Exact Mass | 486.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8dkNDjN3NWq |
|---|---|
| Name | 2-[2-(3-Ethoxy-3-phenylallyl)-5-isopropenyl-2-methyl-3-oxocyclohexyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H38O4 |
| InChI | InChI=1S/C32H38O4/c1-6-36-29(22-10-8-7-9-11-22)16-17-32(4)28(19-24(21(2)3)20-30(32)33)27-14-12-23-18-25(35-5)13-15-26(23)31(27)34/h7-11,13,15-16,18,24,27-28H,2,6,12,14,17,19-20H2,1,3-5H3/b29-16-/t24-,27?,28+,32+/m1/s1 |
| InChIKey | PGQLBXKFCDRNTP-GZXRBNRWSA-N |
| Molecular Weight | 486.652 g/mol |
| SMILES | [C@]1([C@@](C(=O)C[C@@](C1)(C(=C)C)[H])(C\C=C\(c1ccccc1)OCC)C)(C1C(c2ccc(cc2CC1)OC)=O)[H] |
| SPLASH | splash10-004i-0900000000-682383a8c720145a36b5 |
| Source of Spectrum | F-62-1734-27 |
| Wiley ID | 1632322 |