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Dimethyl 2,2'',2''',5',5'',5'''-hexamethyl-[1,1':4',1'':4'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylate
SpectraBase Compound ID JwDXAj2vI2g
InChI InChI=1S/C40H38O4/c1-23-19-35(25(3)17-33(23)29-9-13-31(14-10-29)39(41)43-7)37-21-28(6)38(22-27(37)5)36-20-24(2)34(18-26(36)4)30-11-15-32(16-12-30)40(42)44-8/h9-22H,1-8H3
InChIKey BUBSIJRFJQKISG-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C40H38O4
Exact Mass 582.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bgx0nfCJjf4
Name Dimethyl 2,2'',2''',5',5'',5'''-hexamethyl-[1,1':4',1'':4'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylate
Appearance White solid
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Formula C40H38O4
InChI InChI=1S/C40H38O4/c1-23-19-35(25(3)17-33(23)29-9-13-31(14-10-29)39(41)43-7)37-21-28(6)38(22-27(37)5)36-20-24(2)34(18-26(36)4)30-11-15-32(16-12-30)40(42)44-8/h9-22H,1-8H3
InChIKey BUBSIJRFJQKISG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 114
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801232
Molecular Weight 582.740 g/mol
Reported Formula C40H38O4
SMILES c1cc(ccc1C(=O)OC)-c1cc(c(cc1C)-c1cc(c(cc1C)-c1cc(c(cc1C)-c1ccc(cc1)C(=O)OC)C)C)C
SPLASH splash10-001i-0000090000-9979345e6dee6996a8ad
Source of Spectrum U1-2019-SM44-27
Wiley ID 1846056