| SpectraBase Compound ID | 2rg7rP34WNj |
|---|---|
| InChI | InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27) |
| InChIKey | DYPZVGXELGJCHD-UHFFFAOYSA-N |
| Mol Weight | 360.46 g/mol |
| Molecular Formula | C22H24N4O |
| Exact Mass | 360.195011 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2S6ZsNwnJtU |
|---|---|
| Name | 4-cyano CUMYL-BUT7AICA |
| Catalog Number | 22818 |
| CAS Registry Number | 2160555-53-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H24N4O |
| InChI | InChI=1S/C22H24N4O/c1-22(2,17-10-5-3-6-11-17)25-21(27)19-16-26(15-8-4-7-13-23)20-18(19)12-9-14-24-20/h3,5-6,9-12,14,16H,4,7-8,15H2,1-2H3,(H,25,27) |
| InChIKey | DYPZVGXELGJCHD-UHFFFAOYSA-N |
| Molecular Weight | 360.461 g/mol |
| SMILES | N(C(c1c[n](CCCCC#N)c2c1cccn2)=O)C(c1ccccc1)(C)C |
| SPLASH | splash10-004i-3950000000-480a9ec1a1967ac89e62 |
| Source of Spectrum | CAY-2023-670-0 |
| Wiley ID | 1888629 |