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5-[6-(3,5-dicarbomethoxyphenyl)hexa-1,5-diynyl]benzene-1,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4AI9imAbDAA
InChI InChI=1S/C26H22O8/c1-31-23(27)19-11-17(12-20(15-19)24(28)32-2)9-7-5-6-8-10-18-13-21(25(29)33-3)16-22(14-18)26(30)34-4/h11-16H,5-6H2,1-4H3
InChIKey AURCLQFNYWJKBZ-UHFFFAOYSA-N
Mol Weight 462.45 g/mol
Molecular Formula C26H22O8
Exact Mass 462.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdxIhz6z17B
Name 5-[6-(3,5-dicarbomethoxyphenyl)hexa-1,5-diynyl]benzene-1,3-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C26H22O8
InChI InChI=1S/C26H22O8/c1-31-23(27)19-11-17(12-20(15-19)24(28)32-2)9-7-5-6-8-10-18-13-21(25(29)33-3)16-22(14-18)26(30)34-4/h11-16H,5-6H2,1-4H3
InChIKey AURCLQFNYWJKBZ-UHFFFAOYSA-N
Molecular Weight 462.454 g/mol
SMILES c1(C(=O)OC)cc(C(=O)OC)cc(C#CCCC#Cc2cc(C(=O)OC)cc(c2)C(=O)OC)c1
SPLASH splash10-001i-0090000000-c73b2c1a34c3ad277d57
Source of Spectrum J-65-5367-15
Synonyms 5-[6-[3,5-bis(methoxycarbonyl)phenyl]hexa-1,5-diynyl]benzene-1,3-dicarboxylic acid dimethyl ester dimethyl 5-[6-[3,5-bis(methoxycarbonyl)phenyl]hexa-1,5-diynyl]benzene-1,3-dicarboxylate
Wiley ID 1532985