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7-amino-3-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-5 (1H)-one
SpectraBase Compound ID CUnnSVztCMI
InChI InChI=1S/C11H9N5O/c12-8-6-9(17)16-10(14-15-11(16)13-8)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,15)
InChIKey HLJRHWALRJFRNU-UHFFFAOYSA-N
Mol Weight 227.23 g/mol
Molecular Formula C11H9N5O
Exact Mass 227.08071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eOVmvOQWmH
Name 7-amino-3-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-5 (1H)-one
Appearance Yellowish crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N5O
InChI InChI=1S/C11H9N5O/c12-8-6-9(17)16-10(14-15-11(16)13-8)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,15)
InChIKey HLJRHWALRJFRNU-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2645
SMILES N1N=C(N2C(C=C(N=C12)N)=O)c1ccccc1
SPLASH splash10-004i-9630000000-6df1049598aac9a7e42e
Source of Spectrum Y-54-855-5
Wiley ID 1877955