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2-[2-(4-fluorophenyl)-2-keto-ethyl]-3-(phenoxymethyl)-1,4-naphthoquinone
SpectraBase Compound ID ExPr7pqpz8n
InChI InChI=1S/C25H17FO4/c26-17-12-10-16(11-13-17)23(27)14-21-22(15-30-18-6-2-1-3-7-18)25(29)20-9-5-4-8-19(20)24(21)28/h1-13H,14-15H2
InChIKey FZZZAGJNVTXZRS-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C25H17FO4
Exact Mass 400.111087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2QV2ybE4Xgo
Name 2-[2-(4-fluorophenyl)-2-keto-ethyl]-3-(phenoxymethyl)-1,4-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17FO4
InChI InChI=1S/C25H17FO4/c26-17-12-10-16(11-13-17)23(27)14-21-22(15-30-18-6-2-1-3-7-18)25(29)20-9-5-4-8-19(20)24(21)28/h1-13H,14-15H2
InChIKey FZZZAGJNVTXZRS-UHFFFAOYSA-N
Molecular Weight 400.405 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)COc1ccccc1)CC(c1ccc(cc1)F)=O
SPLASH splash10-0006-9304000000-5ad654c347df14182138
Source of Spectrum F-55-2098-19
Synonyms 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-3-(phenoxymethyl)naphthalene-1,4-dione 2-[2-(4-fluorophenyl)-2-oxo-ethyl]-3-(phenoxymethyl)naphthalene-1,4-dione
Wiley ID 836815