For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5"-(1,1-Dimethylethyl)-2,2',2",2"',2""-pentamethoxy-[1,1':3',1":3",1''':3"'.1""-quinquephenyl]-3,3""-dicarboxylic acid
SpectraBase Compound ID BeYe5GR8tM2
InChI InChI=1S/C41H40O9/c1-41(2,3)23-21-32(28-17-9-13-24(34(28)46-4)26-15-11-19-30(39(42)43)36(26)48-6)38(50-8)33(22-23)29-18-10-14-25(35(29)47-5)27-16-12-20-31(40(44)45)37(27)49-7/h9-22H,1-8H3,(H,42,43)(H,44,45)
InChIKey DVGBVKHXCSFQMU-UHFFFAOYSA-N
Mol Weight 676.8 g/mol
Molecular Formula C41H40O9
Exact Mass 676.267233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3kfMibKI88Y
Name 5"-(1,1-Dimethylethyl)-2,2',2",2"',2""-pentamethoxy-[1,1':3',1":3",1''':3"'.1""-quinquephenyl]-3,3""-dicarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H40O9
InChI InChI=1S/C41H40O9/c1-41(2,3)23-21-32(28-17-9-13-24(34(28)46-4)26-15-11-19-30(39(42)43)36(26)48-6)38(50-8)33(22-23)29-18-10-14-25(35(29)47-5)27-16-12-20-31(40(44)45)37(27)49-7/h9-22H,1-8H3,(H,42,43)(H,44,45)
InChIKey DVGBVKHXCSFQMU-UHFFFAOYSA-N
Molecular Weight 676.762 g/mol
SMILES OC(c1c(c(-c2c(c(-c3c(c(-c4c(c(-c5c(c(C(=O)O)ccc5)OC)ccc4)OC)cc(c3)C(C)(C)C)OC)ccc2)OC)ccc1)OC)=O
SPLASH splash10-01t9-0000009000-ac3aa1579bfa9fe40935
Source of Spectrum QB-10-576-13
Synonyms 3-(3-{5-tert-butyl-3-[3-(3-carboxy-2-methoxyphenyl)-2-methoxyphenyl]-2-methoxyphenyl}-2-methoxyphenyl)-2-methoxybenzoic acid 5''-(1,1-Dimethylethyl)-2,2',2'',2''',2''''-pentamethoxy-[1,1':3',1'':3'',1''':3'''.1''''-quinquephenyl]-3,3''''-dicarboxylic acid
Wiley ID 840904