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2-[2-(4-chlorophenyl)-2-keto-ethyl]-3-(phenoxymethyl)-1,4-naphthoquinone
SpectraBase Compound ID JpDeL0vASkC
InChI InChI=1S/C25H17ClO4/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 HLGRYLSTODYIOZ-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C25H17ClO4
Exact Mass 416.081537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gj6xr1qkhgD
Name 2-[2-(4-chlorophenyl)-2-keto-ethyl]-3-(phenoxymethyl)-1,4-naphthoquinone
Alternate Name(s) 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-(phenoxymethyl)naphthalene-1,4-dione 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-(phenoxymethyl)naphthalene-1,4-dione
Comments Removed - unrepairable contamination (CH2Cl2)
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Formula C25H17ClO4
InChI InChI=1S/C25H17ClO4/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 HLGRYLSTODYIOZ-UHFFFAOYSA-N
Molecular Weight 416.860 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)COc1ccccc1)CC(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-9100000000-f4fe74aed97abf167a61
Source of Spectrum F-55-2098-19
Wiley ID 836816