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1-[2'-Formylphenoxy)acetyl]-3-(methoxycarbonyl)azulene
SpectraBase Compound ID Flx5SYJHDXj
InChI InChI=1S/C21H16O5/c1-25-21(24)18-11-17(15-8-3-2-4-9-16(15)18)19(23)13-26-20-10-6-5-7-14(20)12-22/h2-12H,13H2,1H3
InChIKey KPBQCVLKTDHKRI-UHFFFAOYSA-N
Mol Weight 348.35 g/mol
Molecular Formula C21H16O5
Exact Mass 348.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11EvliaI28B
Name 1-[2'-Formylphenoxy)acetyl]-3-(methoxycarbonyl)azulene
Alternate Name(s) 3-[2-(2-formylphenoxy)-1-oxoethyl]-1-azulenecarboxylic acid methyl ester Methyl 3-[2-(2-formylphenoxy)acetyl]azulene-1-carboxylate Methyl 3-[2-(2-methanoylphenoxy)ethanoyl]azulene-1-carboxylate
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Formula C21H16O5
InChI InChI=1S/C21H16O5/c1-25-21(24)18-11-17(15-8-3-2-4-9-16(15)18)19(23)13-26-20-10-6-5-7-14(20)12-22/h2-12H,13H2,1H3
InChIKey KPBQCVLKTDHKRI-UHFFFAOYSA-N
Molecular Weight 348.354 g/mol
SMILES c1(c2c(ccccc2)c(c1)C(COc1c(C=O)cccc1)=O)C(=O)OC
SPLASH splash10-03di-0093000000-8bdae6f0ffbce25445cf
Source of Spectrum D8-39-681-10
Wiley ID 1528474