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1,2,5-Tri-(4-anisyl)-1H-pyrazole
SpectraBase Compound ID LPUr4lb50eL
InChI InChI=1S/C24H22N2O3/c1-27-20-10-4-17(5-11-20)23-16-24(18-6-12-21(28-2)13-7-18)26(25-23)19-8-14-22(29-3)15-9-19/h4-16H,1-3H3
InChIKey YCWIGXSJDFRLKV-UHFFFAOYSA-N
Mol Weight 386.45 g/mol
Molecular Formula C24H22N2O3
Exact Mass 386.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yt1RXAEOZB
Name 1,2,5-Tri-(4-anisyl)-1H-pyrazole
Appearance Drab solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.163042573 u
Formula C24H22N2O3
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C24H22N2O3/c1-27-20-10-4-17(5-11-20)23-16-24(18-6-12-21(28-2)13-7-18)26(25-23)19-8-14-22(29-3)15-9-19/h4-16H,1-3H3
InChIKey YCWIGXSJDFRLKV-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 386.451 g/mol
Quality 132
Reported Formula C24H22N2O3
SMILES C1(=NN(C(=C1)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
SPLASH splash10-000i-0009000000-fb50a1f674e3e5547520
Source of Spectrum QE-21-SM60-3ad (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.32 (hexane/EtOAc, 10:1)
Wiley ID 1907304