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Benzoic acid, 2-chloro-4-[(4-heptylbenzoyl)oxy]-, 4-butylphenyl ester
SpectraBase Compound ID 8u9YgODebOo
InChI InChI=1S/C31H35ClO4/c1-3-5-7-8-9-11-24-12-16-25(17-13-24)30(33)36-27-20-21-28(29(32)22-27)31(34)35-26-18-14-23(15-19-26)10-6-4-2/h12-22H,3-11H2,1-2H3
InChIKey LTTIVFZAXYSHHK-UHFFFAOYSA-N
Mol Weight 507.1 g/mol
Molecular Formula C31H35ClO4
Exact Mass 506.222387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zyGxWbHFG
Name Benzoic acid, 2-chloro-4-[(4-heptylbenzoyl)oxy]-, 4-butylphenyl ester
Alternate Name(s) 4-Butylphenyl 2-chloro-4-((4-heptylbenzoyl)oxy)benzoate 4-Butylphenyl 2-chloro-4-[(4-heptylbenzoyl)oxy]benzoate 2-Chloro-4-[(4-heptylphenyl)-oxomethoxy]benzoic acid (4-butylphenyl) ester (4-butylphenyl) 2-chloro-4-(4-heptylbenzoyl)oxybenzoate (4-butylphenyl) 2-chloro-4-(4-heptylbenzoyl)oxy-benzoate (4-butylphenyl) 2-chloranyl-4-(4-heptylphenyl)carbonyloxy-benzoate
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Formula C31H35ClO4
InChI InChI=1S/C31H35ClO4/c1-3-5-7-8-9-11-24-12-16-25(17-13-24)30(33)36-27-20-21-28(29(32)22-27)31(34)35-26-18-14-23(15-19-26)10-6-4-2/h12-22H,3-11H2,1-2H3
InChIKey LTTIVFZAXYSHHK-UHFFFAOYSA-N
Molecular Weight 507.070 g/mol
SMILES CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(C(=O)Oc2ccc(CCCC)cc2)c(Cl)c1
SPLASH splash10-0zfu-8495000000-d9b0be4bbd759cfa45fe
Source of Spectrum JX-2015-4-979
Wiley ID 1726386