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3-(2'-(R)-(Benzoyloxy)propyl)-6,8-dimethoxy-1,2-naphthoquinone
SpectraBase Compound ID 7B6Azfu8mC1
InChI InChI=1S/C22H20O6/c1-13(28-22(25)14-7-5-4-6-8-14)9-16-10-15-11-17(26-2)12-18(27-3)19(15)21(24)20(16)23/h4-8,10-13H,9H2,1-3H3/t13-/m1/s1
InChIKey NCJFXWSYZJUCSO-CYBMUJFWSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bmrj3owmHIL
Name 3-(2'-(R)-(Benzoyloxy)propyl)-6,8-dimethoxy-1,2-naphthoquinone
Alternate Name(s) (1R)-2-(5,7-dimethoxy-3,4-dioxo-3,4-dihydro-2-naphthalenyl)-1-methylethyl benzoate benzoic acid[(1R)-2-(3,4-diketo-5,7-dimethoxy-2-naphthyl)-1-methyl-ethyl]ester benzoic acid[(2R)-1-(5,7-dimethoxy-3,4-dioxo-2-naphthalenyl)propan-2-yl]ester [(1R)-2-(5,7-dimethoxy-3,4-dioxo-2-naphthyl)-1-methyl-ethyl]benzoate [(2R)-1-(5,7-dimethoxy-3,4-dioxonaphthalen-2-yl)propan-2-yl]benzoate [(2R)-1-[5,7-dimethoxy-3,4-bis(oxidanylidene)naphthalen-2-yl]propan-2-yl]benzoate benzoic acid [(2R)-1-(5,7-dimethoxy-3,4-dioxo-2-naphthalenyl)propan-2-yl] ester [(2R)-1-(5,7-dimethoxy-3,4-dioxonaphthalen-2-yl)propan-2-yl] benzoate [(1R)-2-(5,7-dimethoxy-3,4-dioxo-2-naphthyl)-1-methyl-ethyl] benzoate [(2R)-1-[5,7-dimethoxy-3,4-bis(oxidanylidene)naphthalen-2-yl]propan-2-yl] benzoate
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Formula C22H20O6
InChI InChI=1S/C22H20O6/c1-13(28-22(25)14-7-5-4-6-8-14)9-16-10-15-11-17(26-2)12-18(27-3)19(15)21(24)20(16)23/h4-8,10-13H,9H2,1-3H3/t13-/m1/s1
InChIKey NCJFXWSYZJUCSO-CYBMUJFWSA-N
Molecular Weight 380.396 g/mol
SMILES C1(c2c(cc(cc2OC)OC)C=C(C1=O)C[C@](OC(=O)c1ccccc1)(C)[H])=O
SPLASH splash10-0a59-0953000000-39c839a7601f8557dcaf
Source of Spectrum J-66-1307-39
Wiley ID 1534516