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3-[3,5-bis(3-carbomethoxyazulen-1-yl)phenyl]azulene-1-carboxylic acid methyl ester
SpectraBase Compound ID K2n8vFnKUMM
InChI InChI=1S/C42H30O6/c1-46-40(43)37-22-34(28-13-7-4-10-16-31(28)37)25-19-26(35-23-38(41(44)47-2)32-17-11-5-8-14-29(32)35)21-27(20-25)36-24-39(42(45)48-3)33-18-12-6-9-15-30(33)36/h4-24H,1-3H3
InChIKey BOPARDSMOHGOOH-UHFFFAOYSA-N
Mol Weight 630.7 g/mol
Molecular Formula C42H30O6
Exact Mass 630.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31X4dYtCRcN
Name 3-[3,5-bis(3-carbomethoxyazulen-1-yl)phenyl]azulene-1-carboxylic acid methyl ester
Alternate Name(s) 3-[3,5-bis(3-methoxycarbonyl-1-azulenyl)phenyl]-1-azulenecarboxylic acid methyl ester Methyl 3-[3,5-bis(3-methoxycarbonylazulen-1-yl)phenyl]azulene-1-carboxylate
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Formula C42H30O6
InChI InChI=1S/C42H30O6/c1-46-40(43)37-22-34(28-13-7-4-10-16-31(28)37)25-19-26(35-23-38(41(44)47-2)32-17-11-5-8-14-29(32)35)21-27(20-25)36-24-39(42(45)48-3)33-18-12-6-9-15-30(33)36/h4-24H,1-3H3
InChIKey BOPARDSMOHGOOH-UHFFFAOYSA-N
Molecular Weight 630.696 g/mol
SMILES c1(c2c(ccccc2)c(c1)C(=O)OC)-c1cc(-c2c3c(ccccc3)c(c2)C(=O)OC)cc(-c2c3c(ccccc3)c(c2)C(=O)OC)c1
SPLASH splash10-0udr-0901000000-037c5aa526e9f7690668
Source of Spectrum CV-0-335-6
Wiley ID 849026