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Dimethyl 4,4'-(Bicyclo[1.1.1]pentane-1,3-diyldiethynediyl)dibenzoate
SpectraBase Compound ID 7cxEsljdotg
InChI InChI=1S/C25H20O4/c1-28-22(26)20-7-3-18(4-8-20)11-13-24-15-25(16-24,17-24)14-12-19-5-9-21(10-6-19)23(27)29-2/h3-10H,15-17H2,1-2H3
InChIKey XUZRHQSTTPNYRD-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 DGYMXRGZtEm
Name Dimethyl 4,4'-(Bicyclo[1.1.1]pentane-1,3-diyldiethynediyl)dibenzoate
Alternate Name(s) 4-[2-[3-[2-(4-methoxycarbonylphenyl)ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]benzoic acid methyl ester Methyl 4-[2-[3-[2-(4-methoxycarbonylphenyl)ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]benzoate
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Formula C25H20O4
InChI InChI=1S/C25H20O4/c1-28-22(26)20-7-3-18(4-8-20)11-13-24-15-25(16-24,17-24)14-12-19-5-9-21(10-6-19)23(27)29-2/h3-10H,15-17H2,1-2H3
InChIKey XUZRHQSTTPNYRD-UHFFFAOYSA-N
Molecular Weight 384.431 g/mol
SMILES C12(CC(C2)(C1)C#Cc1ccc(C(=O)OC)cc1)C#Cc1ccc(C(=O)OC)cc1
SPLASH splash10-014i-5697000000-9792944d00d3545fefc7
Source of Spectrum U1-2012-4792-23
Wiley ID 1715747