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3-(5-ethyl-2,4-dihydroxyphenyl)-7-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrimidine
SpectraBase Compound ID 6cK2LcZQ2Xc
InChI InChI=1S/C14H11F3N4O2/c1-2-7-5-8(10(23)6-9(7)22)12-19-20-13-18-11(14(15,16)17)3-4-21(12)13/h3-6,22-23H,2H2,1H3
InChIKey SCXURIUXWYIKAZ-UHFFFAOYSA-N
Mol Weight 324.26 g/mol
Molecular Formula C14H11F3N4O2
Exact Mass 324.08341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW8p1jbSRhN
Name 3-(5-ethyl-2,4-dihydroxyphenyl)-7-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F3N4O2
InChI InChI=1S/C14H11F3N4O2/c1-2-7-5-8(10(23)6-9(7)22)12-19-20-13-18-11(14(15,16)17)3-4-21(12)13/h3-6,22-23H,2H2,1H3
InChIKey SCXURIUXWYIKAZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 324.263 g/mol
SMILES Oc1cc(c(cc1CC)-c1[n]2C=CC(=Nc2nn1)C(F)(F)F)O
SPLASH splash10-0a4i-1309000000-f26a7a9dbf970dbbb85a
Source of Spectrum WO2016013947A1
Wiley ID 1851056