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AYQXXNVYBVZBOF-UHFFFAOYSA-N

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AYQXXNVYBVZBOF-UHFFFAOYSA-N
SpectraBase Compound ID 3Gj1MEMK42a
InChI InChI=1S/C8H12BrN3O/c1-3-13-5-8-10-6(2)4-7(11-8)12-9/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKey AYQXXNVYBVZBOF-UHFFFAOYSA-N
Mol Weight 246.11 g/mol
Molecular Formula C8H12BrN3O
Exact Mass 245.016375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NouT7hYcL4
Name AYQXXNVYBVZBOF-UHFFFAOYSA-N
Compound Number 1H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12BrN3O
InChI InChI=1S/C8H12BrN3O/c1-3-13-5-8-10-6(2)4-7(11-8)12-9/h4H,3,5H2,1-2H3,(H,10,11,12)
InChIKey AYQXXNVYBVZBOF-UHFFFAOYSA-N
Literature Reference Author E.GRUENDEMANN,H.J.NICLAS,F.ZEUNER
Literature Reference Citation J.PRAKT.CHEM.,329,391(1987)
Literature Reference DOI 10.1002/prac.19873290303
Molecular Weight 246.107 g/mol
Solvent DMSO-D6
Source File Reference UWED6834