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6-AMINO-3-BENZYLTHIO-2-METHYLPYRIMIDO-[4,5-E]-[1,2,4]-TRIAZIN-8-ONE-HYDROBROMIDE
SpectraBase Compound ID E0CZUGnZOpB
InChI InChI=1S/C13H12N6OS.BrH/c1-19-13(21-7-8-5-3-2-4-6-8)16-10-9(18-19)11(20)17-12(14)15-10;/h2-6H,7H2,1H3,(H2,14,17,20);1H
InChIKey VQAMANYUNBQTBH-UHFFFAOYSA-N
Mol Weight 381.25 g/mol
Molecular Formula C13H13BrN6OS
Exact Mass 380.005493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZaxURA68b5
Name 6-AMINO-3-BENZYLTHIO-2-METHYLPYRIMIDO-[4,5-E]-[1,2,4]-TRIAZIN-8-ONE-HYDROBROMIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13BrN6OS
InChI InChI=1S/C13H12N6OS.BrH/c1-19-13(21-7-8-5-3-2-4-6-8)16-10-9(18-19)11(20)17-12(14)15-10;/h2-6H,7H2,1H3,(H2,14,17,20);1H
InChIKey VQAMANYUNBQTBH-UHFFFAOYSA-N
Literature Reference Author D.RANDLES,H.TAGUCHI,W.L.F.ARMAREGO
Literature Reference Citation HETEROCYCLES,35,807(1993)
Literature Reference DOI 10.3987/COM-92-S(T)63
Molecular Weight 381.250 g/mol
Solvent DMSO-D6