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3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, 7-hydroxy-2-methyl-5-propyl-, inner salt
SpectraBase Compound ID FehO4U7CU8v
InChI InChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKey HUPLIZZVPNJXQM-UHFFFAOYSA-N
Mol Weight 192.22 g/mol
Molecular Formula C9H12N4O
Exact Mass 192.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu0H0ZQpuyL
Name 3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, 7-hydroxy-2-methyl-5-propyl-, inner salt
Alternate Name(s) 2-Methyl-5-propyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-olate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N4O
InChI InChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12,14)
InChIKey HUPLIZZVPNJXQM-UHFFFAOYSA-N
Molecular Weight 192.222 g/mol
SMILES [nH]1c2nc(cc([n+]2nc1C)[O-])CCC
SPLASH splash10-000f-8900000000-dcd6c91ff99536926554
Source of Spectrum JX-2015-5-268
Wiley ID 1727117