| SpectraBase Compound ID | JSkjqAPWgsc |
|---|---|
| InChI | InChI=1S/C18H25BrN4O2/c1-5-6-9-23-13-8-7-11(19)10-12(13)14(22-23)17(25)21-15(16(20)24)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H2,20,24)(H,21,25)/t15-/m1/s1 |
| InChIKey | DIOILIVJIIJFPO-OAHLLOKOSA-N |
| Mol Weight | 409.33 g/mol |
| Molecular Formula | C18H25BrN4O2 |
| Exact Mass | 408.116089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | bcvazF23tc |
|---|---|
| Name | ADB-5'Br-BUTINACA |
| Catalog Number | 36770 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H25BrN4O2 |
| InChI | InChI=1S/C18H25BrN4O2/c1-5-6-9-23-13-8-7-11(19)10-12(13)14(22-23)17(25)21-15(16(20)24)18(2,3)4/h7-8,10,15H,5-6,9H2,1-4H3,(H2,20,24)(H,21,25)/t15-/m1/s1 |
| InChIKey | DIOILIVJIIJFPO-OAHLLOKOSA-N |
| Molecular Weight | 409.328 g/mol |
| SMILES | N(C(=O)c1n[n](CCCC)c2c1cc(Br)cc2)[C@](C(N)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-0059-2293000000-4de917e298e5f7a06cfd |
| Source of Spectrum | CAY-2023-2114-0 |
| Wiley ID | 1890050 |