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(E)-1-[5-(1-Hexyn-1-yl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
SpectraBase Compound ID FUXKFf7kQ3y
InChI InChI=1S/C17H16F3N3O/c1-2-3-4-8-11-15-14(12-21-24)16(17(18,19)20)22-23(15)13-9-6-5-7-10-13/h5-7,9-10,12,24H,2-4H2,1H3/b21-12+
InChIKey FGVPDYCSZFLXOR-CIAFOILYSA-N
Mol Weight 335.33 g/mol
Molecular Formula C17H16F3N3O
Exact Mass 335.124547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 567Uy9mdM4j
Name (E)-1-[5-(1-Hexyn-1-yl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
Appearance Light brown crystals
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Formula C17H16F3N3O
InChI InChI=1S/C17H16F3N3O/c1-2-3-4-8-11-15-14(12-21-24)16(17(18,19)20)22-23(15)13-9-6-5-7-10-13/h5-7,9-10,12,24H,2-4H2,1H3/b21-12+
InChIKey FGVPDYCSZFLXOR-CIAFOILYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.183
Molecular Weight 335.330 g/mol
Reported Formula C17H16F3N3O
SMILES O\N=C\c1c(n[n](-c2ccccc2)c1C#CCCCC)C(F)(F)F
SPLASH splash10-004i-1090000000-a6514ddf16288f473f1d
Source of Spectrum BJO-10-SM7-6c
Wiley ID 1853955