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3,5-diphenyl-1-(p-nitrophenyl)pyrazole
SpectraBase Compound ID IM8hkwScmw1
InChI InChI=1S/C21H15N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-15H
InChIKey PXCMBYXFVRQYSH-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C21H15N3O2
Exact Mass 341.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmS2fI7lmPw
Name 1-(4-Nitrophenyl)-3,5-diphenyl-1H-pyrazole
Appearance Yellowish-white solid
Carrier Gas Helium
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Exact Mass 341.116426733 u
Formula C21H15N3O2
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C21H15N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-15H
InChIKey PXCMBYXFVRQYSH-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 341.370 g/mol
Quality 169
SMILES C1([N+](=O)[O-])=CC=C(C=C1)N1N=C(C=C1C1=CC=CC=C1)C1=CC=CC=C1
SPLASH splash10-0006-2429000000-43017f1a4e1eeaa570c5
Source of Spectrum QE-21-SM55-3s (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.34 (hexane/EtOAc, 10:1)
Wiley ID 1907317