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5-(1-Benzyl-1H-pyrazol-4-yl)-9-hydroxy-1H-phenalen-1-one
SpectraBase Compound ID IfTAh9ZjIxr
InChI InChI=1S/C23H16N2O2/c26-20-8-6-16-10-18(11-17-7-9-21(27)23(20)22(16)17)19-12-24-25(14-19)13-15-4-2-1-3-5-15/h1-12,14,26H,13H2
InChIKey XGRFQLONOHAGQS-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C23H16N2O2
Exact Mass 352.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KD12ITBGy
Name 5-(1-Benzyl-1H-pyrazol-4-yl)-9-hydroxy-1H-phenalen-1-one
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.121177761 u
Formula C23H16N2O2
InChI InChI=1S/C23H16N2O2/c26-20-8-6-16-10-18(11-17-7-9-21(27)23(20)22(16)17)19-12-24-25(14-19)13-15-4-2-1-3-5-15/h1-12,14,26H,13H2
InChIKey XGRFQLONOHAGQS-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700553
Molecular Weight 352.393 g/mol
Quality 130
SMILES OC=1C=CC=2C3=C(C=C(C=4C=NN(CC5=CC=CC=C5)C4)C2)C=CC(C13)=O
SPLASH splash10-0il0-2974000000-d0e4cb95b7ce53b81793
Source of Spectrum QE-23-SM10-3j (DOI: 10.1002/chem.201700553)
Wiley ID 1905631