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2-[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SpectraBase Compound ID 9pCa8ObrATB
InChI InChI=1S/C15H13F3N4O3/c1-8-9(4-5-23)13(24)22(21-8)14-19-10(11-3-2-6-25-11)7-12(20-14)15(16,17)18/h2-3,6-7,21,23H,4-5H2,1H3
InChIKey PBCKXTPRYLXIOS-UHFFFAOYSA-N
Mol Weight 354.29 g/mol
Molecular Formula C15H13F3N4O3
Exact Mass 354.093975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iobOFcm8Vx
Name 2-[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F3N4O3
InChI InChI=1S/C15H13F3N4O3/c1-8-9(4-5-23)13(24)22(21-8)14-19-10(11-3-2-6-25-11)7-12(20-14)15(16,17)18/h2-3,6-7,21,23H,4-5H2,1H3
InChIKey PBCKXTPRYLXIOS-UHFFFAOYSA-N
Molecular Weight 354.289 g/mol
SMILES OCCC=1C(N(c2nc(C(F)(F)F)cc(n2)-c2occc2)NC1C)=O
SPLASH splash10-00di-0039000000-8f9159c1093213a6cc21
Source of Spectrum C5-2005-812-3
Synonyms 2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one 2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-(2-hydroxyethyl)-5-methyl-3-pyrazolin-3-one 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
Wiley ID 1618235