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(E)-1-Phenyl-5-(phenylethynyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
SpectraBase Compound ID 1LKPqoGAQs3
InChI InChI=1S/C19H12F3N3O/c20-19(21,22)18-16(13-23-26)17(12-11-14-7-3-1-4-8-14)25(24-18)15-9-5-2-6-10-15/h1-10,13,26H/b23-13+
InChIKey YZQKIMMUAUGATM-YDZHTSKRSA-N
Mol Weight 355.32 g/mol
Molecular Formula C19H12F3N3O
Exact Mass 355.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DE8bM3K7BYk
Name (E)-1-Phenyl-5-(phenylethynyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
Appearance Light yellow, crystals
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Formula C19H12F3N3O
InChI InChI=1S/C19H12F3N3O/c20-19(21,22)18-16(13-23-26)17(12-11-14-7-3-1-4-8-14)25(24-18)15-9-5-2-6-10-15/h1-10,13,26H/b23-13+
InChIKey YZQKIMMUAUGATM-YDZHTSKRSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.183
Molecular Weight 355.320 g/mol
Reported Formula C19H12F3N3O
SMILES O\N=C\c1c(n[n](-c2ccccc2)c1C#Cc1ccccc1)C(F)(F)F
SPLASH splash10-0gdr-9024000000-a06f8294e33333653379
Source of Spectrum BJO-10-SM6-6a
Wiley ID 1853953