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1-[2'-Formyl-6'-methylphenoxy)acetyl]-3-(methoxycarbonyl)azulene
SpectraBase Compound ID JoDmaGjBJrg
InChI InChI=1S/C22H18O5/c1-14-7-6-8-15(12-23)21(14)27-13-20(24)18-11-19(22(25)26-2)17-10-5-3-4-9-16(17)18/h3-12H,13H2,1-2H3
InChIKey BLIQMZZZVGSCIM-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C22H18O5
Exact Mass 362.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0QFEFTLti0
Name 1-[2'-Formyl-6'-methylphenoxy)acetyl]-3-(methoxycarbonyl)azulene
Alternate Name(s) 3-[2-(2-formyl-6-methylphenoxy)-1-oxoethyl]-1-azulenecarboxylic acid methyl ester Methyl 3-[2-(2-formyl-6-methylphenoxy)acetyl]azulene-1-carboxylate Methyl 3-[2-(2-formyl-6-methyl-phenoxy)acetyl]azulene-1-carboxylate Methyl 3-[2-(2-methanoyl-6-methyl-phenoxy)ethanoyl]azulene-1-carboxylate
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Formula C22H18O5
InChI InChI=1S/C22H18O5/c1-14-7-6-8-15(12-23)21(14)27-13-20(24)18-11-19(22(25)26-2)17-10-5-3-4-9-16(17)18/h3-12H,13H2,1-2H3
InChIKey BLIQMZZZVGSCIM-UHFFFAOYSA-N
Molecular Weight 362.381 g/mol
SMILES c1(c2c(ccccc2)c(c1)C(COc1c(C=O)cccc1C)=O)C(=O)OC
SPLASH splash10-03di-0094000000-dffd77ef684d195bbc83
Source of Spectrum D8-39-682-10
Wiley ID 1528472