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Dimethyl 2,2'-(Bicyclo[1.1.1]pentane-1,3-diyldiethynediyl)dibenzoate
SpectraBase Compound ID 1SwB3a6TCmj
InChI InChI=1S/C25H20O4/c1-28-22(26)20-9-5-3-7-18(20)11-13-24-15-25(16-24,17-24)14-12-19-8-4-6-10-21(19)23(27)29-2/h3-10H,15-17H2,1-2H3
InChIKey JADLLIZHTLWPEY-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C25H20O4
Exact Mass 384.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2a22VWWyFZV
Name Dimethyl 2,2'-(Bicyclo[1.1.1]pentane-1,3-diyldiethynediyl)dibenzoate
Alternate Name(s) 2-[2-[3-[2-(2-methoxycarbonylphenyl)ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]benzoic acid methyl ester Methyl 2-[2-[3-[2-(2-methoxycarbonylphenyl)ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]benzoate
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Formula C25H20O4
InChI InChI=1S/C25H20O4/c1-28-22(26)20-9-5-3-7-18(20)11-13-24-15-25(16-24,17-24)14-12-19-8-4-6-10-21(19)23(27)29-2/h3-10H,15-17H2,1-2H3
InChIKey JADLLIZHTLWPEY-UHFFFAOYSA-N
Molecular Weight 384.431 g/mol
SMILES C12(CC(C2)(C1)C#Cc1c(C(=O)OC)cccc1)C#Cc1c(C(=O)OC)cccc1
SPLASH splash10-00kr-0049000000-e195ecd0e485700025d6
Source of Spectrum U1-2012-4792-25
Wiley ID 1715745