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5"-(1,1-Dimethylethyl)-2,2',2",2"',2""-pentamethoxy[1,1':3',1":3",1''':3"'.1""-quinquephenyl]-3,3""-dimethanol
SpectraBase Compound ID 8XevkTDUgwa
InChI InChI=1S/C41H44O7/c1-41(2,3)27-21-34(32-19-11-17-30(38(32)46-6)28-15-9-13-25(23-42)36(28)44-4)40(48-8)35(22-27)33-20-12-18-31(39(33)47-7)29-16-10-14-26(24-43)37(29)45-5/h9-22,42-43H,23-24H2,1-8H3
InChIKey IITGAENMGYFHCA-UHFFFAOYSA-N
Mol Weight 648.8 g/mol
Molecular Formula C41H44O7
Exact Mass 648.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEpHxphSf37
Name 5"-(1,1-Dimethylethyl)-2,2',2",2"',2""-pentamethoxy[1,1':3',1":3",1''':3"'.1""-quinquephenyl]-3,3""-dimethanol
Alternate Name(s) 5''-(1,1-Dimethylethyl)-2,2',2'',2''',2''''-pentamethoxy[1,1':3',1'':3'',1''':3'''.1''''-quinquephenyl]-3,3''''-dimethanol {3-[3-(5-tert-butyl-3-{3-[3-(hydroxymethyl)-2-methoxyphenyl]-2-methoxyphenyl}-2-methoxyphenyl)-2-methoxyphenyl]-2-methoxyphenyl}methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H44O7
InChI InChI=1S/C41H44O7/c1-41(2,3)27-21-34(32-19-11-17-30(38(32)46-6)28-15-9-13-25(23-42)36(28)44-4)40(48-8)35(22-27)33-20-12-18-31(39(33)47-7)29-16-10-14-26(24-43)37(29)45-5/h9-22,42-43H,23-24H2,1-8H3
InChIKey IITGAENMGYFHCA-UHFFFAOYSA-N
Molecular Weight 648.796 g/mol
SMILES OCc1c(c(-c2c(c(-c3c(c(-c4c(c(-c5c(c(CO)ccc5)OC)ccc4)OC)cc(c3)C(C)(C)C)OC)ccc2)OC)ccc1)OC
SPLASH splash10-000t-0000009000-f1d3f88f95b8750ec7ed
Source of Spectrum QB-10-576-11
Wiley ID 840906