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2-Benzyl-3-hydroxynaphthalene-1,4-dione
SpectraBase Compound ID 1xonONKpRHo
InChI InChI=1S/C17H12O3/c18-15-12-8-4-5-9-13(12)16(19)17(20)14(15)10-11-6-2-1-3-7-11/h1-9,20H,10H2
InChIKey DAFZNKDZHABMQJ-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C17H12O3
Exact Mass 264.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tT18Yk0Z5
Name 2-Benzyl-3-hydroxynaphthalene-1,4-dione
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O3
InChI InChI=1S/C17H12O3/c18-15-12-8-4-5-9-13(12)16(19)17(20)14(15)10-11-6-2-1-3-7-11/h1-9,20H,10H2
InChIKey DAFZNKDZHABMQJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
Molecular Weight 264.280 g/mol
SMILES OC1=C(Cc2ccccc2)C(c2c(C1=O)cccc2)=O
SPLASH splash10-03di-0390000000-41e58b8e523404c7dff5
Source of Spectrum MCS-3-SM6-34b
Thin-Layer Chromatography Rf = 0.38 (hexanes/EtOAc, 7:1)
Wiley ID 1864069