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5-methyl-3,4-bis(1H-pyrazol-3-yl)-1-[4-(1H-pyrazol-3-yl)phenyl]pyrazole
SpectraBase Compound ID FrMN91aYH1R
InChI InChI=1S/C19H16N8/c1-12-18(16-7-10-21-24-16)19(17-8-11-22-25-17)26-27(12)14-4-2-13(3-5-14)15-6-9-20-23-15/h2-11H,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKey KDNSAWRILNAQPQ-UHFFFAOYSA-N
Mol Weight 356.39 g/mol
Molecular Formula C19H16N8
Exact Mass 356.149793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4ps7kT6qcI
Name 5-methyl-3,4-bis(1H-pyrazol-3-yl)-1-[4-(1H-pyrazol-3-yl)phenyl]pyrazole
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N8
InChI InChI=1S/C19H16N8/c1-12-18(16-7-10-21-24-16)19(17-8-11-22-25-17)26-27(12)14-4-2-13(3-5-14)15-6-9-20-23-15/h2-11H,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKey KDNSAWRILNAQPQ-UHFFFAOYSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2644
Molecular Weight 356.393 g/mol
SMILES [nH]1ccc(-c2c([n](nc2-c2cc[nH]n2)-c2ccc(cc2)-c2cc[nH]n2)C)n1
SPLASH splash10-0a4i-0109000000-7325b6eb9a809befedc7
Source of Spectrum Y-54-704-17
Wiley ID 1877935