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2-(4-Methylphenacyl)-3-phenoxymethyl-1,4-naphthoquinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(4-Methylphenacyl)-3-phenoxymethyl-1,4-naphthoquinone
SpectraBase Compound ID AwOOfZYPkpM
InChI InChI=1S/C26H20O4/c1-17-11-13-18(14-12-17)24(27)15-22-23(16-30-19-7-3-2-4-8-19)26(29)21-10-6-5-9-20(21)25(22)28/h2-14H,15-16H2,1H3
InChIKey AXTUSSIGYGVZJJ-UHFFFAOYSA-N
Mol Weight 396.44 g/mol
Molecular Formula C26H20O4
Exact Mass 396.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SJlUe7nxZt
Name 2-(4-Methylphenacyl)-3-phenoxymethyl-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.136159120 u
Formula C26H20O4
InChI InChI=1S/C26H20O4/c1-17-11-13-18(14-12-17)24(27)15-22-23(16-30-19-7-3-2-4-8-19)26(29)21-10-6-5-9-20(21)25(22)28/h2-14H,15-16H2,1H3
InChIKey AXTUSSIGYGVZJJ-UHFFFAOYSA-N
Molecular Weight 396.442 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)COC=1C=CC=CC1)CC(C=1C=CC(=CC1)C)=O