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2-(4-Chlorobenzyl)-3-hydroxynaphthalene-1,4-dione
SpectraBase Compound ID 2BRxsHU28op
InChI InChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,21H,9H2
InChIKey DLMYDTDHBWOSNS-UHFFFAOYSA-N
Mol Weight 298.73 g/mol
Molecular Formula C17H11ClO3
Exact Mass 298.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jctgsk9bwoF
Name 2-(4-Chlorobenzyl)-3-hydroxynaphthalene-1,4-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClO3
InChI InChI=1S/C17H11ClO3/c18-11-7-5-10(6-8-11)9-14-15(19)12-3-1-2-4-13(12)16(20)17(14)21/h1-8,21H,9H2
InChIKey DLMYDTDHBWOSNS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/ml300242v
Molecular Weight 298.725 g/mol
SMILES OC1=C(Cc2ccc(Cl)cc2)C(c2c(C1=O)cccc2)=O
SPLASH splash10-06ub-0290000000-b9d81c0690a9da4d30f2
Source of Spectrum MCS-3-SM6-34a
Thin-Layer Chromatography Rf = 0.42 (hexanes/EtOAc, 7:1)
Wiley ID 1864068