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1-(1-Ethoxyethyl)-3-(phenylethynyl)-1H-pyrazole-5-carbaldehyde
SpectraBase Compound ID ANmulNatGe6
InChI InChI=1S/C16H16N2O2/c1-3-20-13(2)18-16(12-19)11-15(17-18)10-9-14-7-5-4-6-8-14/h4-8,11-13H,3H2,1-2H3
InChIKey CMDCBOMOIYPTKB-UHFFFAOYSA-N
Mol Weight 268.32 g/mol
Molecular Formula C16H16N2O2
Exact Mass 268.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuRT64EShZ4
Name 1-(1-Ethoxyethyl)-3-(phenylethynyl)-1H-pyrazole-5-carbaldehyde
Appearance Slightly yellow crystals
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Formula C16H16N2O2
InChI InChI=1S/C16H16N2O2/c1-3-20-13(2)18-16(12-19)11-15(17-18)10-9-14-7-5-4-6-8-14/h4-8,11-13H,3H2,1-2H3
InChIKey CMDCBOMOIYPTKB-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.842
Molecular Weight 268.316 g/mol
Reported Formula C16H16N2O2
SMILES C(C)OC(C)[n]1nc(cc1C=O)C#Cc1ccccc1
SPLASH splash10-0002-7920000000-10ccd7c5f456228b4129
Source of Spectrum ARK-2014-68-22
Thin-Layer Chromatography Rf = 0.5 (ethylacetate/n-hexane, 1:4)
Wiley ID 1843339