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3,3-dimethyl-5-phenyl-4-(2-phenylethynyl)pyrazole
SpectraBase Compound ID HBsE54yIYtn
InChI InChI=1S/C19H16N2/c1-19(2)17(14-13-15-9-5-3-6-10-15)18(20-21-19)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey VRFLWTXAAJMKLB-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C19H16N2
Exact Mass 272.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXpoSnJVxwE
Name 3,3-Dimethyl-5-phenyl-4-(phenylethynyl)-3H-pyrazole
CAS Registry Number 140173-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2
InChI InChI=1S/C19H16N2/c1-19(2)17(14-13-15-9-5-3-6-10-15)18(20-21-19)16-11-7-4-8-12-16/h3-12H,1-2H3
InChIKey VRFLWTXAAJMKLB-UHFFFAOYSA-N
Molecular Weight 272.351 g/mol
SMILES C1(=C(N=NC1(C)C)c1ccccc1)C#Cc1ccccc1
SPLASH splash10-004i-2590000000-415dba5db2067d4266b2
Source of Spectrum AD-0-2532-0
Synonyms 3,3-Dimethyl-5-phenyl-4-(2-phenylethynyl)pyrazole 3H-Pyrazole, 3,3-dimethyl-5-phenyl-4-phenylethynyl-
Wiley ID 1424401