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4-Butylphenyl 2-chloro-4-((4-(pentan-2-yl)benzoyl)oxy)benzoate
SpectraBase Compound ID 8jixa1ZbdPG
InChI InChI=1S/C29H31ClO4/c1-4-6-8-21-9-15-24(16-10-21)33-29(32)26-18-17-25(19-27(26)30)34-28(31)23-13-11-22(12-14-23)20(3)7-5-2/h9-20H,4-8H2,1-3H3
InChIKey UFIJNSFTHGSVFO-UHFFFAOYSA-N
Mol Weight 479.02 g/mol
Molecular Formula C29H31ClO4
Exact Mass 478.191087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUeD6jjv9g6
Name 4-Butylphenyl 2-chloro-4-((4-(pentan-2-yl)benzoyl)oxy)benzoate
Alternate Name(s) 4-Butylphenyl 2-chloro-4-{[4-(pentan-2-yl)benzoyl]oxy}benzoate 2-Chloro-4-[oxo-(4-pentan-2-ylphenyl)methoxy]benzoic acid (4-butylphenyl) ester (4-butylphenyl) 2-chloro-4-(4-pentan-2-ylbenzoyl)oxybenzoate (4-butylphenyl) 2-chloro-4-[4-(1-methylbutyl)benzoyl]oxy-benzoate (4-butylphenyl) 2-chloranyl-4-(4-pentan-2-ylphenyl)carbonyloxy-benzoate
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Formula C29H31ClO4
InChI InChI=1S/C29H31ClO4/c1-4-6-8-21-9-15-24(16-10-21)33-29(32)26-18-17-25(19-27(26)30)34-28(31)23-13-11-22(12-14-23)20(3)7-5-2/h9-20H,4-8H2,1-3H3
InChIKey UFIJNSFTHGSVFO-UHFFFAOYSA-N
Molecular Weight 479.016 g/mol
SMILES c1(ccc(cc1)C(CCC)C)C(Oc1cc(Cl)c(C(=O)Oc2ccc(cc2)CCCC)cc1)=O
SPLASH splash10-004i-6904000000-36cd1bb8dd1c440d7308
Source of Spectrum JX-2015-4-833
Wiley ID 1726249