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1-(8-(3-Fluoro-4-methylphenyl)-8H-[1,2,4]triazolo[4,3-a]perimidin-10-yl)ethan-1-one
SpectraBase Compound ID 3EaUQeRllAS
InChI InChI=1S/C21H15FN4O/c1-12-9-10-15(11-16(12)22)26-21-23-17-7-3-5-14-6-4-8-18(19(14)17)25(21)20(24-26)13(2)27/h3-11H,1-2H3
InChIKey RHOASUSXCBMFMC-UHFFFAOYSA-N
Mol Weight 358.38 g/mol
Molecular Formula C21H15FN4O
Exact Mass 358.122989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeatVImm9KT
Name 1-(8-(3-Fluoro-4-methylphenyl)-8H-[1,2,4]triazolo[4,3-a]perimidin-10-yl)ethan-1-one
Appearance Orange solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15FN4O
InChI InChI=1S/C21H15FN4O/c1-12-9-10-15(11-16(12)22)26-21-23-17-7-3-5-14-6-4-8-18(19(14)17)25(21)20(24-26)13(2)27/h3-11H,1-2H3
InChIKey RHOASUSXCBMFMC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX and GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4257
Molecular Weight 358.376 g/mol
SMILES c1(F)cc(ccc1C)N1N=C(N2C1=Nc1c3c(ccc1)cccc23)C(C)=O
SPLASH splash10-052r-0973000000-ca87ae08724b60603698
Source of Spectrum Y-58-SM18-17a
Wiley ID 1880923