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3-[bis(3-methyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester
SpectraBase Compound ID 3b1G3rmzkI5
InChI InChI=1S/C35H28O2/c1-22-19-30(26-15-9-4-7-13-24(22)26)34(31-20-23(2)25-14-8-5-10-16-27(25)31)32-21-33(35(36)37-3)29-18-12-6-11-17-28(29)32/h4-21,34H,1-3H3
InChIKey NOAPPDABMXXCEW-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C35H28O2
Exact Mass 480.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CCAgl0vpv6
Name 3-[bis(3-methyl-1-azulenyl)methyl]-1-azulenecarboxylic acid methyl ester
Alternate Name(s) 3-[bis(3-methylazulen-1-yl)methyl]azulene-1-carboxylic acid methyl ester Methyl 3-[bis(3-methylazulen-1-yl)methyl]azulene-1-carboxylate
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Formula C35H28O2
InChI InChI=1S/C35H28O2/c1-22-19-30(26-15-9-4-7-13-24(22)26)34(31-20-23(2)25-14-8-5-10-16-27(25)31)32-21-33(35(36)37-3)29-18-12-6-11-17-28(29)32/h4-21,34H,1-3H3
InChIKey NOAPPDABMXXCEW-UHFFFAOYSA-N
Molecular Weight 480.607 g/mol
SMILES c1(C(c2c3c(ccccc3)c(c2)C)c2c3c(ccccc3)c(c2)C)c2c(ccccc2)c(c1)C(=O)OC
SPLASH splash10-0019-9000300000-4241490ee01af25ae47b
Source of Spectrum AJ-68-2014-8
Wiley ID 773430