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4-(9-Hydroxy-1-oxo-1H-phenalen-5-yl)benzonitrile
SpectraBase Compound ID 4NYObkTnxyP
InChI InChI=1S/C20H11NO2/c21-11-12-1-3-13(4-2-12)16-9-14-5-7-17(22)20-18(23)8-6-15(10-16)19(14)20/h1-10,22H
InChIKey GRRGFCZCFKCQFI-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C20H11NO2
Exact Mass 297.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17ouXSutO29
Name 4-(9-Hydroxy-1-oxo-1H-phenalen-5-yl)benzonitrile
Appearance Yellow solid
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Exact Mass 297.078978596 u
Formula C20H11NO2
InChI InChI=1S/C20H11NO2/c21-11-12-1-3-13(4-2-12)16-9-14-5-7-17(22)20-18(23)8-6-15(10-16)19(14)20/h1-10,22H
InChIKey GRRGFCZCFKCQFI-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700553
Quality 147
SMILES OC=1C=CC=2C3=C(C=CC(C13)=O)C=C(C2)C1=CC=C(C=C1)C#N
SPLASH splash10-0002-0190000000-8de2c0ffe7d2a5954e05
Source of Spectrum QE-23-SM7-3e (DOI: 10.1002/chem.201700553)
Wiley ID 1905627