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Benzoic acid, 2-chloro-4-[[4-(1-methylbutyl)benzoyl]oxy]-, 4-(2-methylpropyl)phenyl ester
SpectraBase Compound ID 4AdQxr4MShT
InChI InChI=1S/C29H31ClO4/c1-5-6-20(4)22-9-11-23(12-10-22)28(31)34-25-15-16-26(27(30)18-25)29(32)33-24-13-7-21(8-14-24)17-19(2)3/h7-16,18-20H,5-6,17H2,1-4H3
InChIKey YDJGLIGHYSWLGF-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 9ZQ4u5OZgB6
Name Benzoic acid, 2-chloro-4-[[4-(1-methylbutyl)benzoyl]oxy]-, 4-(2-methylpropyl)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31ClO4
InChI InChI=1S/C29H31ClO4/c1-5-6-20(4)22-9-11-23(12-10-22)28(31)34-25-15-16-26(27(30)18-25)29(32)33-24-13-7-21(8-14-24)17-19(2)3/h7-16,18-20H,5-6,17H2,1-4H3
InChIKey YDJGLIGHYSWLGF-UHFFFAOYSA-N
Molecular Weight 479.016 g/mol
SMILES c1(C(Oc2cc(Cl)c(C(=O)Oc3ccc(cc3)CC(C)C)cc2)=O)ccc(C(CCC)C)cc1
SPLASH splash10-004i-2902000000-72bf11ec67442d16b639
Source of Spectrum JX-2015-4-832
Synonyms 4-Isobutylphenyl 2-chloro-4-((4-(pentan-2-yl)benzoyl)oxy)benzoate 4-(2-Methylpropyl)phenyl 2-chloro-4-{[4-(pentan-2-yl)benzoyl]oxy}benzoate 2-Chloro-4-[oxo-(4-pentan-2-ylphenyl)methoxy]benzoic acid [4-(2-methylpropyl)phenyl] ester [4-(2-methylpropyl)phenyl] 2-chloro-4-(4-pentan-2-ylbenzoyl)oxybenzoate (4-isobutylphenyl) 2-chloro-4-[4-(1-methylbutyl)benzoyl]oxy-benzoate [4-(2-methylpropyl)phenyl] 2-chloranyl-4-(4-pentan-2-ylphenyl)carbonyloxy-benzoate
Wiley ID 1726248