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3,5-bis(4-anisyl)-1-mesityl-1H-pyrazole
SpectraBase Compound ID DCTMT39a1Fl
InChI InChI=1S/C26H26N2O2/c1-17-14-18(2)26(19(3)15-17)28-25(21-8-12-23(30-5)13-9-21)16-24(27-28)20-6-10-22(29-4)11-7-20/h6-16H,1-5H3
InChIKey KEGGPVQTYUFQLN-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C26H26N2O2
Exact Mass 398.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16lGLSHbp4d
Name 3,5-bis(4-anisyl)-1-mesityl-1H-pyrazole
Appearance White solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.199428083 u
Formula C26H26N2O2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C26H26N2O2/c1-17-14-18(2)26(19(3)15-17)28-25(21-8-12-23(30-5)13-9-21)16-24(27-28)20-6-10-22(29-4)11-7-20/h6-16H,1-5H3
InChIKey KEGGPVQTYUFQLN-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 398.506 g/mol
Quality 183
Reported Formula C26H26N2O2
SMILES C1(=NN(C(=C1)C1=CC=C(C=C1)OC)C1=C(C=C(C=C1C)C)C)C1=CC=C(C=C1)OC
SPLASH splash10-000t-1129000000-e25165d6d828514cee44
Source of Spectrum QE-21-SM48-3e (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.21 (hexane/EtOAc, 10:1)
Wiley ID 1907310