| SpectraBase Compound ID | IB1NX0w3XOX |
|---|---|
| InChI | InChI=1S/C21H27N3O/c1-4-7-16(3)21(25)24-13-6-5-8-19(24)20-22-14-18(23-20)17-11-9-15(2)10-12-17/h4,7,9-12,14,16,19H,5-6,8,13H2,1-3H3,(H,22,23)/b7-4+ |
| InChIKey | NIKZKPIUSLIXCM-QPJJXVBHSA-N |
| Mol Weight | 337.47 g/mol |
| Molecular Formula | C21H27N3O |
| Exact Mass | 337.215413 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DEeJhqSMguA |
|---|---|
| Name | (E)-2-methyl-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)pent-3-en-1-one |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N3O |
| InChI | InChI=1S/C21H27N3O/c1-4-7-16(3)21(25)24-13-6-5-8-19(24)20-22-14-18(23-20)17-11-9-15(2)10-12-17/h4,7,9-12,14,16,19H,5-6,8,13H2,1-3H3,(H,22,23)/b7-4+ |
| InChIKey | NIKZKPIUSLIXCM-QPJJXVBHSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 337.467 g/mol |
| SMILES | [nH]1c(cnc1C1N(C(C(C)\C=C\C)=O)CCCC1)-c1ccc(cc1)C |
| SPLASH | splash10-000l-2970000000-be50189b4c46c9265b05 |
| Sample Comments | Isomer 2 |
| Source of Spectrum | WO2021074281A1 |
| Wiley ID | 1880086 |