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4-acetoxy-6-chloro-5,8-diketo-3-methyl-naphthalene-2-carboxylic acid ethyl ester
SpectraBase Compound ID 1Ddnbf1muRV
InChI InChI=1S/C16H13ClO6/c1-4-22-16(21)9-5-10-12(19)6-11(17)14(20)13(10)15(7(9)2)23-8(3)18/h5-6H,4H2,1-3H3
InChIKey DNWMQTAPZJOKMB-UHFFFAOYSA-N
Mol Weight 336.73 g/mol
Molecular Formula C16H13ClO6
Exact Mass 336.040066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcarjyW8Qlj
Name 4-acetoxy-6-chloro-5,8-diketo-3-methyl-naphthalene-2-carboxylic acid ethyl ester
Alternate Name(s) 4-acetyloxy-6-chloro-3-methyl-5,8-dioxo-2-naphthalenecarboxylic acid ethyl ester ethyl 4-acetoxy-6-chloro-3-methyl-5,8-dioxo-naphthalene-2-carboxylate ethyl 4-acetyloxy-6-chloranyl-3-methyl-5,8-bis(oxidanylidene)naphthalene-2-carboxylate ethyl 4-acetyloxy-6-chloro-3-methyl-5,8-dioxonaphthalene-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H13ClO6
InChI InChI=1S/C16H13ClO6/c1-4-22-16(21)9-5-10-12(19)6-11(17)14(20)13(10)15(7(9)2)23-8(3)18/h5-6H,4H2,1-3H3
InChIKey DNWMQTAPZJOKMB-UHFFFAOYSA-N
Molecular Weight 336.727 g/mol
SMILES c12c(C(=O)C=C(C2=O)Cl)cc(c(c1OC(=O)C)C)C(=O)OCC
SPLASH splash10-0006-0090000000-43a9e1392d0c984ff0a5
Source of Spectrum J-58-7910-5
Wiley ID 1332148