| SpectraBase Compound ID | 9yQ5gNJxPys |
|---|---|
| InChI | InChI=1S/C14H17BrN4O2/c1-14(2,3)11(12(16)20)17-13(21)10-8-6-7(15)4-5-9(8)18-19-10/h4-6,11H,1-3H3,(H2,16,20)(H,17,21)(H,18,19)/t11-/m1/s1 |
| InChIKey | AJGASUCDTSLMNP-LLVKDONJSA-N |
| Mol Weight | 353.22 g/mol |
| Molecular Formula | C14H17BrN4O2 |
| Exact Mass | 352.053489 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1cAAeQ3nc0 |
|---|---|
| Name | ADB-5Br-INACA |
| Catalog Number | 36263 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H17BrN4O2 |
| InChI | InChI=1S/C14H17BrN4O2/c1-14(2,3)11(12(16)20)17-13(21)10-8-6-7(15)4-5-9(8)18-19-10/h4-6,11H,1-3H3,(H2,16,20)(H,17,21)(H,18,19)/t11-/m1/s1 |
| InChIKey | AJGASUCDTSLMNP-LLVKDONJSA-N |
| Molecular Weight | 353.220 g/mol |
| SMILES | N(C(c1n[nH]c2c1cc(cc2)Br)=O)[C@](C(N)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-00bi-9583000000-1cfa7c4451c1b36ab637 |
| Source of Spectrum | CAY-2023-4-0 |
| Wiley ID | 1887970 |