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4-hydroxy-1-methyl-5,8-dioxo-2-naphthalenecarboxylic acid ethyl ester
SpectraBase Compound ID B9cp8u5nzxw
InChI InChI=1S/C14H12O5/c1-3-19-14(18)8-6-11(17)13-10(16)5-4-9(15)12(13)7(8)2/h4-6,17H,3H2,1-2H3
InChIKey VVPJGOBFQYPJAU-UHFFFAOYSA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39RoJACyVnR
Name 4-hydroxy-1-methyl-5,8-dioxo-2-naphthalenecarboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C14H12O5
InChI InChI=1S/C14H12O5/c1-3-19-14(18)8-6-11(17)13-10(16)5-4-9(15)12(13)7(8)2/h4-6,17H,3H2,1-2H3
InChIKey VVPJGOBFQYPJAU-UHFFFAOYSA-N
Molecular Weight 260.245 g/mol
SMILES Oc1c2c(c(c(C(=O)OCC)c1)C)C(C=CC2=O)=O
SPLASH splash10-001i-0090000000-56e7a2848ff5ea625b3f
Source of Spectrum J-58-7910-6
Synonyms 4-hydroxy-5,8-diketo-1-methyl-naphthalene-2-carboxylic acid ethyl ester ethyl 1-methyl-4-oxidanyl-5,8-bis(oxidanylidene)naphthalene-2-carboxylate ethyl 4-hydroxy-1-methyl-5,8-dioxo-naphthalene-2-carboxylate
Wiley ID 1263592