| SpectraBase Compound ID | BsOeb2MSCzs |
|---|---|
| InChI | InChI=1S/C22H27NO4/c1-21(2)8-14(24)19(15(25)9-21)18(13-6-5-7-23-12-13)20-16(26)10-22(3,4)11-17(20)27/h5-7,12,18-20H,8-11H2,1-4H3 |
| InChIKey | ZPDTUZGUAQLSTI-UHFFFAOYSA-N |
| Mol Weight | 369.46 g/mol |
| Molecular Formula | C22H27NO4 |
| Exact Mass | 369.194008 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5o2JUylIUo4 |
|---|---|
| Name | Methane, bis(4,4-dimethyl-2,6-dioxocyclohexyl)(3-pyridyl)- |
| CAS Registry Number | 329693-23-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27NO4 |
| InChI | InChI=1S/C22H27NO4/c1-21(2)8-14(24)19(15(25)9-21)18(13-6-5-7-23-12-13)20-16(26)10-22(3,4)11-17(20)27/h5-7,12,18-20H,8-11H2,1-4H3 |
| InChIKey | ZPDTUZGUAQLSTI-UHFFFAOYSA-N |
| Molecular Weight | 369.461 g/mol |
| SMILES | CC1(CC(C(C(C1)=O)C(C1C(CC(CC1=O)(C)C)=O)c1cccnc1)=O)C |
| SPLASH | splash10-00l6-9782000000-7d4ff6397572ff5685df |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(3-pyridyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(3-pyridyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(3-pyridinyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-pyridin-3-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione |
| Wiley ID | 1424912 |