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Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2,5-dicarboxylic acid, 3,4-diphenyl-, dimethyl ester
SpectraBase Compound ID NeYcl8Ahy8
InChI InChI=1S/C27H22O4/c1-30-26(28)24-20-15-9-10-16-21(17-20)25(27(29)31-2)23(19-13-7-4-8-14-19)22(24)18-11-5-3-6-12-18/h3-16H,17H2,1-2H3
InChIKey MWMMODXIHXURAK-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C27H22O4
Exact Mass 410.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43XHqaTsAWQ
Name Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2,5-dicarboxylic acid, 3,4-diphenyl-, dimethyl ester
CAS Registry Number 126703-72-8
Comments Less than 3 mono-isotopic peaks
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Formula C27H22O4
InChI InChI=1S/C27H22O4/c1-30-26(28)24-20-15-9-10-16-21(17-20)25(27(29)31-2)23(19-13-7-4-8-14-19)22(24)18-11-5-3-6-12-18/h3-16H,17H2,1-2H3
InChIKey MWMMODXIHXURAK-UHFFFAOYSA-N
Molecular Weight 410.469 g/mol
SMILES C1(=C(C(=C2C=CC=CC(=C1C(=O)OC)C2)C(=O)OC)c1ccccc1)c1ccccc1
SPLASH splash10-02t9-0009500000-250bbbd4a2483722746d
Source of Spectrum H-72-1316-5
Synonyms Dimethyl 3,4-diphenylbicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2,5-dicarboxylate
Wiley ID 1373811