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Benzoic acid, 4-(2-methylbutyl)-, 4-butylphenyl ester
SpectraBase Compound ID JzhcU4q9d63
InChI InChI=1S/C22H28O2/c1-4-6-7-18-10-14-21(15-11-18)24-22(23)20-12-8-19(9-13-20)16-17(3)5-2/h8-15,17H,4-7,16H2,1-3H3
InChIKey IIHKPWHQSLJXDK-UHFFFAOYSA-N
Mol Weight 324.46 g/mol
Molecular Formula C22H28O2
Exact Mass 324.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGUtybJqjs5
Name Benzoic acid, 4-(2-methylbutyl)-, 4-butylphenyl ester
Alternate Name(s) 4-Butylphenyl 4-(2-methylbutyl)benzoate (4-butylphenyl) 4-(2-methylbutyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O2
InChI InChI=1S/C22H28O2/c1-4-6-7-18-10-14-21(15-11-18)24-22(23)20-12-8-19(9-13-20)16-17(3)5-2/h8-15,17H,4-7,16H2,1-3H3
InChIKey IIHKPWHQSLJXDK-UHFFFAOYSA-N
Molecular Weight 324.464 g/mol
SMILES CCCCc1ccc(OC(=O)c2ccc(CC(C)CC)cc2)cc1
SPLASH splash10-004i-3900000000-824fa82e6474717216ff
Source of Spectrum JX-2015-3-380
Wiley ID 1723951