For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Acetyl-1-(3-fluoro-4-methylphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID LqcgTxT5yre
InChI InChI=1S/C15H13FN4O2/c1-8-4-5-11(7-12(8)16)20-15-17-9(2)6-13(22)19(15)14(18-20)10(3)21/h4-7H,1-3H3
InChIKey HOZIKMVJUPCQGJ-UHFFFAOYSA-N
Mol Weight 300.29 g/mol
Molecular Formula C15H13FN4O2
Exact Mass 300.102254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 33yZzyWw9A
Name 3-Acetyl-1-(3-fluoro-4-methylphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13FN4O2
InChI InChI=1S/C15H13FN4O2/c1-8-4-5-11(7-12(8)16)20-15-17-9(2)6-13(22)19(15)14(18-20)10(3)21/h4-7H,1-3H3
InChIKey HOZIKMVJUPCQGJ-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 300.293 g/mol
SMILES C(C)(=O)C1=NN(C=2N1C(C=C(N2)C)=O)c1cc(c(cc1)C)F
SPLASH splash10-0006-2691000000-84765006558e2f64a56b
Source of Spectrum Y-58-SM7-13a
Wiley ID 1880921