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1-Methyl-3-(phenylethynyl)-1H-pyrazole
SpectraBase Compound ID vws0WMXaM0
InChI InChI=1S/C12H10N2/c1-14-10-9-12(13-14)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3
InChIKey RYBLVPNPTCSJAG-UHFFFAOYSA-N
Mol Weight 182.23 g/mol
Molecular Formula C12H10N2
Exact Mass 182.084398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58yi3dMm062
Name 1-Methyl-3-(phenylethynyl)-1H-pyrazole
Appearance Slightly yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2
InChI InChI=1S/C12H10N2/c1-14-10-9-12(13-14)8-7-11-5-3-2-4-6-11/h2-6,9-10H,1H3
InChIKey RYBLVPNPTCSJAG-UHFFFAOYSA-N
Instrument Name Shimadzu QP2010
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.842
Molecular Weight 182.226 g/mol
Reported Formula C12H10N2
SMILES C[n]1nc(cc1)C#Cc1ccccc1
SPLASH splash10-001i-2900000000-cb9536ad36e8a6da6683
Source of Spectrum ARK-2014-69-27
Thin-Layer Chromatography Rf = 0.2 (ethyl acetate, n-hexane, 1:4)
Wiley ID 1843344