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Benzoic acid, 4-(2-methylbutyl)-, 4-[[4-(octyloxy)phenoxy]carbonyl]phenyl ester
SpectraBase Compound ID CciVV9Xv3nA
InChI InChI=1S/C33H40O5/c1-4-6-7-8-9-10-23-36-29-19-21-31(22-20-29)38-33(35)28-15-17-30(18-16-28)37-32(34)27-13-11-26(12-14-27)24-25(3)5-2/h11-22,25H,4-10,23-24H2,1-3H3
InChIKey LKKNWTZDIRMWPB-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C33H40O5
Exact Mass 516.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q4fKTLcO5l
Name Benzoic acid, 4-(2-methylbutyl)-, 4-[[4-(octyloxy)phenoxy]carbonyl]phenyl ester
Alternate Name(s) 4-((4-(octyloxy)phenoxy)carbonyl)phenyl 4-(2-methylbutyl)benzoate 4-{[4-(octyloxy)phenoxy]carbonyl}phenyl 4-(2-methylbutyl)benzoate 4-(2-Methylbutyl)benzoic acid [4-[(4-octoxyphenoxy)-oxomethyl]phenyl] ester [4-(4-octoxyphenoxy)carbonylphenyl] 4-(2-methylbutyl)benzoate
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Formula C33H40O5
InChI InChI=1S/C33H40O5/c1-4-6-7-8-9-10-23-36-29-19-21-31(22-20-29)38-33(35)28-15-17-30(18-16-28)37-32(34)27-13-11-26(12-14-27)24-25(3)5-2/h11-22,25H,4-10,23-24H2,1-3H3
InChIKey LKKNWTZDIRMWPB-UHFFFAOYSA-N
Molecular Weight 516.678 g/mol
SMILES CCCCCCCCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC(C)CC)cc3)cc2)cc1
SPLASH splash10-004i-4910000000-77576ea95f7ae07971e5
Source of Spectrum JX-2015-4-1035
Wiley ID 1726439