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Benzoic acid, 2-chloro-4-[[4-(2-methylbutyl)benzoyl]oxy]-, 4-pentylphenyl ester
SpectraBase Compound ID 4ExmBTTRDWK
InChI InChI=1S/C30H33ClO4/c1-4-6-7-8-22-11-15-25(16-12-22)34-30(33)27-18-17-26(20-28(27)31)35-29(32)24-13-9-23(10-14-24)19-21(3)5-2/h9-18,20-21H,4-8,19H2,1-3H3
InChIKey QRFHHPIACHDNRN-UHFFFAOYSA-N
Mol Weight 493.0 g/mol
Molecular Formula C30H33ClO4
Exact Mass 492.206737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APbO46RfJul
Name Benzoic acid, 2-chloro-4-[[4-(2-methylbutyl)benzoyl]oxy]-, 4-pentylphenyl ester
Alternate Name(s) 4-Pentylphenyl 2-chloro-4-((4-(2-methylbutyl)benzoyl)oxy)benzoate 4-Pentylphenyl 2-chloro-4-{[4-(2-methylbutyl)benzoyl]oxy}benzoate 2-Chloro-4-[[4-(2-methylbutyl)phenyl]-oxomethoxy]benzoic acid (4-pentylphenyl) ester (4-pentylphenyl) 2-chloro-4-[4-(2-methylbutyl)benzoyl]oxybenzoate (4-pentylphenyl) 2-chloro-4-[4-(2-methylbutyl)benzoyl]oxy-benzoate (4-pentylphenyl) 2-chloranyl-4-[4-(2-methylbutyl)phenyl]carbonyloxy-benzoate
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Formula C30H33ClO4
InChI InChI=1S/C30H33ClO4/c1-4-6-7-8-22-11-15-25(16-12-22)34-30(33)27-18-17-26(20-28(27)31)35-29(32)24-13-9-23(10-14-24)19-21(3)5-2/h9-18,20-21H,4-8,19H2,1-3H3
InChIKey QRFHHPIACHDNRN-UHFFFAOYSA-N
Molecular Weight 493.043 g/mol
SMILES CCCCCc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(CC(C)CC)cc3)cc2Cl)cc1
SPLASH splash10-004i-1900000000-2b22cc7a8e50e91adef1
Source of Spectrum JX-2015-4-909
Wiley ID 1726321