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4-[3,4-bis(hexoxycarbonyl)benzoyl]benzene-1,2-dicarboxylic acid dihexyl ester
SpectraBase Compound ID Diw6lVckdW2
InChI InChI=1S/C41H58O9/c1-5-9-13-17-25-47-38(43)33-23-21-31(29-35(33)40(45)49-27-19-15-11-7-3)37(42)32-22-24-34(39(44)48-26-18-14-10-6-2)36(30-32)41(46)50-28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
InChIKey LQTTXXAODUCZFC-UHFFFAOYSA-N
Mol Weight 694.9 g/mol
Molecular Formula C41H58O9
Exact Mass 694.408083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 601wrcokNu9
Name 4-[3,4-bis(hexoxycarbonyl)benzoyl]benzene-1,2-dicarboxylic acid dihexyl ester
Alternate Name(s) 4-[[3,4-bis[hexoxy(oxo)methyl]phenyl]-oxomethyl]benzene-1,2-dicarboxylic acid dihexyl ester dihexyl 4-[3,4-bis(hexoxycarbonyl)benzoyl]benzene-1,2-dicarboxylate dihexyl 4-[3,4-bis(hexoxycarbonyl)phenyl]carbonylbenzene-1,2-dicarboxylate [4-(3,4-Bis-hexyloxycarbonyl-benzoyl)]-benzene-1,2-dicarboxylic acid, di(n-hexyl) ester
CAS Registry Number 110281-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H58O9
InChI InChI=1S/C41H58O9/c1-5-9-13-17-25-47-38(43)33-23-21-31(29-35(33)40(45)49-27-19-15-11-7-3)37(42)32-22-24-34(39(44)48-26-18-14-10-6-2)36(30-32)41(46)50-28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
InChIKey LQTTXXAODUCZFC-UHFFFAOYSA-N
Molecular Weight 694.906 g/mol
SMILES C(=O)(c1ccc(cc1C(=O)OCCCCCC)C(=O)c1cc(c(cc1)C(=O)OCCCCCC)C(=O)OCCCCCC)OCCCCCC
SPLASH splash10-00dl-9004101000-8c01beff5cd40872886b
Wiley ID 1486314