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3-Phenoxymethyl-2-phenacyl-1,4-naphthoquinone

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

3-Phenoxymethyl-2-phenacyl-1,4-naphthoquinone
SpectraBase Compound ID CRBTD4twAlD
InChI InChI=1S/C25H18O4/c26-23(17-9-3-1-4-10-17)15-21-22(16-29-18-11-5-2-6-12-18)25(28)20-14-8-7-13-19(20)24(21)27/h1-14H,15-16H2
InChIKey CUTBZFWUTIIHLQ-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C25H18O4
Exact Mass 382.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CClaVI21kop
Name 3-Phenoxymethyl-2-phenacyl-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 382.120509056 u
Formula C25H18O4
InChI InChI=1S/C25H18O4/c26-23(17-9-3-1-4-10-17)15-21-22(16-29-18-11-5-2-6-12-18)25(28)20-14-8-7-13-19(20)24(21)27/h1-14H,15-16H2
InChIKey CUTBZFWUTIIHLQ-UHFFFAOYSA-N
Molecular Weight 382.415 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)COC=1C=CC=CC1)CC(=O)C1=CC=CC=C1