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Dimethyl 1,1':4',1"-tercyclo[2.2.2]octane-4,4''-dicarboxylate
SpectraBase Compound ID FJvzPPBJOzE
InChI InChI=1S/C28H42O4/c1-31-21(29)23-3-9-25(10-4-23,11-5-23)27-15-18-28(19-16-27,20-17-27)26-12-6-24(7-13-26,8-14-26)22(30)32-2/h3-20H2,1-2H3
InChIKey WZZJQQWBRKNXJL-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PGV6feqOWH
Name Dimethyl 1,1':4',1"-tercyclo[2.2.2]octane-4,4''-dicarboxylate
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Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-31-21(29)23-3-9-25(10-4-23,11-5-23)27-15-18-28(19-16-27,20-17-27)26-12-6-24(7-13-26,8-14-26)22(30)32-2/h3-20H2,1-2H3
InChIKey WZZJQQWBRKNXJL-UHFFFAOYSA-N
Molecular Weight 442.640 g/mol
SMILES C12(C34CCC(CC4)(C45CCC(CC5)(C(=O)OC)CC4)CC3)CCC(CC2)(C(=O)OC)CC1
SPLASH splash10-00di-0091000000-7a1940ebe2c4a309932b
Source of Spectrum SO-0-75-18
Synonyms Dimethyl 1,1':4',1''-tercyclo[2.2.2]octane-4,4''-dicarboxylate
Wiley ID 873076