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1-(4-Anisyl)-2,5-di(4-chlorophenyl)-3,4-diphenyl-1,3-cyclopentadiene
SpectraBase Compound ID 7rsUEmU6bjx
InChI InChI=1S/C36H26Cl2O/c1-39-31-22-16-28(17-23-31)36-34(26-12-18-29(37)19-13-26)32(24-8-4-2-5-9-24)33(25-10-6-3-7-11-25)35(36)27-14-20-30(38)21-15-27/h2-23,34H,1H3
InChIKey GACZQANSXAJRHX-UHFFFAOYSA-N
Mol Weight 545.5 g/mol
Molecular Formula C36H26Cl2O
Exact Mass 544.136071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LORCoAug5cr
Name 1-(4-Anisyl)-2,5-di(4-chlorophenyl)-3,4-diphenyl-1,3-cyclopentadiene
Alternate Name(s) 1-chloro-4-[3-(4-chlorophenyl)-2-(4-methoxyphenyl)-4,5-diphenyl-1,4-cyclopentadien-1-yl]benzene 4-[2,5-bis(4-chlorophenyl)-3,4-diphenyl-1,3-cyclopentadien-1-yl]phenyl methyl ether
Comments Less than 3 mono-isotopic peaks
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Formula C36H26Cl2O
InChI InChI=1S/C36H26Cl2O/c1-39-31-22-16-28(17-23-31)36-34(26-12-18-29(37)19-13-26)32(24-8-4-2-5-9-24)33(25-10-6-3-7-11-25)35(36)27-14-20-30(38)21-15-27/h2-23,34H,1H3
InChIKey GACZQANSXAJRHX-UHFFFAOYSA-N
Molecular Weight 545.509 g/mol
SMILES C=1(C(=C(c2ccccc2)C(C1c1ccc(cc1)OC)c1ccc(cc1)Cl)c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-0005-0000090000-f41e2ddfe8835aa61d18
Source of Spectrum QE-6-3432-12
Wiley ID 845119