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3-[2-(2,4-diformylphenoxy)-1-oxoethyl]-1-azulenecarboxylic acid methyl ester
SpectraBase Compound ID DhdL8LIvH4U
InChI InChI=1S/C22H16O6/c1-27-22(26)19-10-18(16-5-3-2-4-6-17(16)19)20(25)13-28-21-8-7-14(11-23)9-15(21)12-24/h2-12H,13H2,1H3
InChIKey VMMFWMTUXGAJFW-UHFFFAOYSA-N
Mol Weight 376.36 g/mol
Molecular Formula C22H16O6
Exact Mass 376.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT1OVBSRArl
Name 3-[2-(2,4-diformylphenoxy)-1-oxoethyl]-1-azulenecarboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H16O6
InChI InChI=1S/C22H16O6/c1-27-22(26)19-10-18(16-5-3-2-4-6-17(16)19)20(25)13-28-21-8-7-14(11-23)9-15(21)12-24/h2-12H,13H2,1H3
InChIKey VMMFWMTUXGAJFW-UHFFFAOYSA-N
Molecular Weight 376.364 g/mol
SMILES c1(cc(c2cccccc12)C(=O)OC)C(=O)COc1c(cc(cc1)C=O)C=O
SPLASH splash10-03di-0090000000-a7fa3e1155a0bd74b0cf
Source of Spectrum D8-39-683-10
Synonyms 3-[2-(2,4-diformylphenoxy)acetyl]azulene-1-carboxylic acid methyl ester methyl 3-[2-(2,4-diformylphenoxy)acetyl]azulene-1-carboxylate methyl 3-[2-(2,4-dimethanoylphenoxy)ethanoyl]azulene-1-carboxylate
Wiley ID 1528465