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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""-dicarboxyaldehyde
SpectraBase Compound ID HZM4KWFSvUK
InChI InChI=1S/C41H40O7/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/h9-24H,1-8H3
InChIKey PNYNGOASXTXFLE-UHFFFAOYSA-N
Mol Weight 644.8 g/mol
Molecular Formula C41H40O7
Exact Mass 644.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mRISYaEWh
Name 5"-(1,1-Dimethylethyl)-2,2',2",2"',2""-pentamethoxy[1,1':3',1":3",1''':3"'.1""-quinquephenyl]-3,3""-dicarboxyaldehyde
Alternate Name(s) 3-(3-{5-tert-butyl-3-[3-(3-formyl-2-methoxyphenyl)-2-methoxyphenyl]-2-methoxyphenyl}-2-methoxyphenyl)-2-methoxybenzaldehyde 5''-(1,1-Dimethylethyl)-2,2',2'',2''',2''''-pentamethoxy[1,1':3',1'':3'',1''':3'''.1''''-quinquephenyl]-3,3''''-dicarboxyaldehyde
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H40O7
InChI InChI=1S/C41H40O7/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/h9-24H,1-8H3
InChIKey PNYNGOASXTXFLE-UHFFFAOYSA-N
Molecular Weight 644.764 g/mol
SMILES c1(c(c(-c2c(c(-c3c(c(C=O)ccc3)OC)ccc2)OC)cc(c1)C(C)(C)C)OC)-c1c(c(-c2c(c(C=O)ccc2)OC)ccc1)OC
SPLASH splash10-0007-0000009000-386f6d8805855115ed39
Source of Spectrum QB-10-576-12
Wiley ID 840905