![9-Isopropyl-7,12-dimethylbenzo[a]heptalene](/api/spectrum/A4ay5GugUoY/structure.png?h=300&w=458 "9-Isopropyl-7,12-dimethylbenzo[a]heptalene")
| SpectraBase Compound ID | 8xjp0ZPQnEi |
|---|---|
| InChI | InChI=1S/C21H22/c1-14(2)18-12-10-16(4)21-19-8-6-5-7-17(19)11-9-15(3)20(21)13-18/h5-14H,1-4H3 |
| InChIKey | JKLFAIVPAQWATL-UHFFFAOYSA-N |
| Mol Weight | 274.41 g/mol |
| Molecular Formula | C21H22 |
| Exact Mass | 274.172151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A4ay5GugUoY |
|---|---|
| Name | 9-Isopropyl-7,12-dimethylbenzo[a]heptalene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22 |
| InChI | InChI=1S/C21H22/c1-14(2)18-12-10-16(4)21-19-8-6-5-7-17(19)11-9-15(3)20(21)13-18/h5-14H,1-4H3 |
| InChIKey | JKLFAIVPAQWATL-UHFFFAOYSA-N |
| Molecular Weight | 274.407 g/mol |
| SMILES | C=1(C=CC(=C2C(=C(C)C=Cc3c2cccc3)C1)C)C(C)C |
| SPLASH | splash10-05gi-0090000000-2c7a609e1c22983143f4 |
| Source of Spectrum | H-90-692-5a |
| Wiley ID | 1785711 |