| SpectraBase Compound ID | 9BnZteCBzqF |
|---|---|
| InChI | InChI=1S/C20H20N4O/c21-13-7-2-8-14-24-18-12-6-5-11-17(18)19(23-24)20(25)22-15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,14-15H2,(H,22,25) |
| InChIKey | JISDUTVCVJSDFN-UHFFFAOYSA-N |
| Mol Weight | 332.41 g/mol |
| Molecular Formula | C20H20N4O |
| Exact Mass | 332.163711 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D4YraEeuF9W |
|---|---|
| Name | Benzyl-4-cyano BUTINACA |
| Catalog Number | 31313 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N4O |
| InChI | InChI=1S/C20H20N4O/c21-13-7-2-8-14-24-18-12-6-5-11-17(18)19(23-24)20(25)22-15-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,14-15H2,(H,22,25) |
| InChIKey | JISDUTVCVJSDFN-UHFFFAOYSA-N |
| Molecular Weight | 332.407 g/mol |
| SMILES | N(C(=O)c1n[n](CCCCC#N)c2c1cccc2)Cc1ccccc1 |
| SPLASH | splash10-0a59-3922000000-88a5a2609cd6b89777df |
| Source of Spectrum | CAY-2023-203-0 |
| Synonyms | Benzyl-4CN-BINACA |
| Wiley ID | 1888169 |