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2-(6-bromanyl-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanoic acid
SpectraBase Compound ID 3wSIbU4Cl5v
InChI InChI=1S/C8H7BrN4O3/c1-3-6(9)7(16)13-8(10-3)11-4(12-13)2-5(14)15/h2H2,1H3,(H,14,15)(H,10,11,12)
InChIKey ILTPHTYCLWEVCL-UHFFFAOYSA-N
Mol Weight 287.07 g/mol
Molecular Formula C8H7BrN4O3
Exact Mass 285.970153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJZwsdqssxC
Name 2-(6-bromanyl-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrN4O3
InChI InChI=1S/C8H7BrN4O3/c1-3-6(9)7(16)13-8(10-3)11-4(12-13)2-5(14)15/h2H2,1H3,(H,14,15)(H,10,11,12)
InChIKey ILTPHTYCLWEVCL-UHFFFAOYSA-N
Molecular Weight 287.073 g/mol
SMILES OC(Cc1n[n]2c(n1)NC(=C(C2=O)Br)C)=O
SPLASH splash10-0006-9120000000-cb255c45008c52f62b99
Synonyms 2-(6-bromo-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid 2-(6-bromo-7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Wiley ID 1452804