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ADB-5Br-INACA
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FebxlEg0P2
Name 5-Br-ADBINACA
Classification Indazole cannabinoid designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 352.053488801 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 353.220 g/mol
Nominal Mass 352 u
Quality 960
Retention Index 2662
SMILES NC([C@@](NC(C=1C=2C(NN1)=CC=C(C2)Br)=O)(C(C)(C)C)[H])=O
SPLASH splash10-072i-4494000000-096b716169e7f41b8985
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-((2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-bromo-1H-indazole-3-carboxamide
Technique GC/MS
Wiley ID DD2024_032822