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1-(1-Ethoxyethyl)-4-methyl-3-(phenylethynyl)-1H-pyrazole
SpectraBase Compound ID LOAbnkgHeh5
InChI InChI=1S/C16H18N2O/c1-4-19-14(3)18-12-13(2)16(17-18)11-10-15-8-6-5-7-9-15/h5-9,12,14H,4H2,1-3H3
InChIKey HRAGPKXRBZOWFI-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C16H18N2O
Exact Mass 254.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEQ1UDIJJZO
Name 1-(1-Ethoxyethyl)-4-methyl-3-(phenylethynyl)-1H-pyrazole
Appearance Slightly yellow oil
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Formula C16H18N2O
InChI InChI=1S/C16H18N2O/c1-4-19-14(3)18-12-13(2)16(17-18)11-10-15-8-6-5-7-9-15/h5-9,12,14H,4H2,1-3H3
InChIKey HRAGPKXRBZOWFI-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.842
Molecular Weight 254.333 g/mol
Reported Formula C16H18N2O
SMILES C(C)OC(C)[n]1nc(c(c1)C)C#Cc1ccccc1
SPLASH splash10-001i-3930000000-55877b042b338594057b
Source of Spectrum ARK-2014-69-25
Thin-Layer Chromatography Rf = 0.4 (ethyl acetate/nhexane, 1:6)
Wiley ID 1843342