| SpectraBase Compound ID | CRS45ls7TkU |
|---|---|
| InChI | InChI=1S/C19H28N4O2/c1-3-5-9-13-23-16-12-8-7-10-14(16)17(22-23)19(25)21-15(18(20)24)11-6-4-2/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H2,20,24)(H,21,25)/t15-/m0/s1 |
| InChIKey | BIAATZFCIKCULE-HNNXBMFYSA-N |
| Mol Weight | 344.46 g/mol |
| Molecular Formula | C19H28N4O2 |
| Exact Mass | 344.221226 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DMfUaV8xrlF |
|---|---|
| Name | ADB-PINACA isomer 3 |
| Catalog Number | 9001527 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H28N4O2 |
| InChI | InChI=1S/C19H28N4O2/c1-3-5-9-13-23-16-12-8-7-10-14(16)17(22-23)19(25)21-15(18(20)24)11-6-4-2/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H2,20,24)(H,21,25)/t15-/m0/s1 |
| InChIKey | BIAATZFCIKCULE-HNNXBMFYSA-N |
| Molecular Weight | 344.459 g/mol |
| SMILES | N(C(c1n[n](c2c1cccc2)CCCCC)=O)[C@](C(N)=O)(CCCC)[H] |
| SPLASH | splash10-014i-3593000000-0928d14f899745fb939f |
| Source of Spectrum | CAY-2023-1502-0 |
| Wiley ID | 1889439 |