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7,7'-Bis[Dimethyl 5-chloromethyl-1,2-dihydro-3H-cyclopenta[c]pyridine-2,2-dicarboxylate]
SpectraBase Compound ID 8Vj1EjbZ1fj
InChI InChI=1S/C26H26Cl2N2O8/c1-35-21(31)25(22(32)36-2)7-13-5-15(11-27)29-19(17(13)9-25)20-18-10-26(23(33)37-3,24(34)38-4)8-14(18)6-16(12-28)30-20/h5-6H,7-12H2,1-4H3
InChIKey BTQBZIGOURGJDH-UHFFFAOYSA-N
Mol Weight 565.41 g/mol
Molecular Formula C26H26Cl2N2O8
Exact Mass 564.106621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9EfA4D03OT
Name 7,7'-Bis[Dimethyl 5-chloromethyl-1,2-dihydro-3H-cyclopenta[c]pyridine-2,2-dicarboxylate]
Comments Less than 3 mono-isotopic peaks
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Formula C26H26Cl2N2O8
InChI InChI=1S/C26H26Cl2N2O8/c1-35-21(31)25(22(32)36-2)7-13-5-15(11-27)29-19(17(13)9-25)20-18-10-26(23(33)37-3,24(34)38-4)8-14(18)6-16(12-28)30-20/h5-6H,7-12H2,1-4H3
InChIKey BTQBZIGOURGJDH-UHFFFAOYSA-N
Molecular Weight 565.406 g/mol
SMILES C1(Cc2c(-c3c4c(CC(C4)(C(=O)OC)C(=O)OC)cc(n3)CCl)nc(cc2C1)CCl)(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0000090000-28ce9e93b98ea666e2b7
Source of Spectrum QE-12-5629-19
Wiley ID 1587116