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2-BROMO-7-HYDROXY-6-(2-NITROETHOXY)-6,7-DIHYDRO-5H-IMIDAZO-[1,2-B]-[1,2,4]-TRIAZIN-3-ONE
SpectraBase Compound ID GV6PfL56vTu
InChI InChI=1S/C7H8BrN5O5/c8-3-4(14)9-7-10-5(6(15)13(7)11-3)18-2-1-12(16)17/h5-6,15H,1-2H2,(H,9,10,14)/t5-,6-/m1/s1
InChIKey MSLRNVJHEFAIJU-PHDIDXHHSA-N
Mol Weight 322.08 g/mol
Molecular Formula C7H8BrN5O5
Exact Mass 320.970881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbzHTge8iYe
Name 2-BROMO-7-HYDROXY-6-(2-NITROETHOXY)-6,7-DIHYDRO-5H-IMIDAZO-[1,2-B]-[1,2,4]-TRIAZIN-3-ONE
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8BrN5O5
InChI InChI=1S/C7H8BrN5O5/c8-3-4(14)9-7-10-5(6(15)13(7)11-3)18-2-1-12(16)17/h5-6,15H,1-2H2,(H,9,10,14)/t5-,6-/m1/s1
InChIKey MSLRNVJHEFAIJU-PHDIDXHHSA-N
Literature Reference Author E.GARNIER,J.GUILLARD,E.PASQUINET,F.SUZENET,D.POULLAIN,C.JARR Y,J.M.LEGER,B.LEBRET
Literature Reference Citation ORG.LETTERS,5,4595(2003)
Literature Reference DOI 10.1021/ol035743e
Molecular Weight 322.075 g/mol
Sample ID 29327
Solvent DMSO