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4-(2,4,6-triisopropylbenzoyl)benzoic acid

View entire compound with spectra: 1 MS (GC)

4-(2,4,6-triisopropylbenzoyl)benzoic acid
SpectraBase Compound ID GJAB7Paha2h
InChI InChI=1S/C23H28O3/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(24)16-7-9-17(10-8-16)23(25)26/h7-15H,1-6H3,(H,25,26)
InChIKey OXAFDQSFACYGSS-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wroAeOXOyo
Name 4-(2,4,6-triisopropylbenzoyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-13(2)18-11-19(14(3)4)21(20(12-18)15(5)6)22(24)16-7-9-17(10-8-16)23(25)26/h7-15H,1-6H3,(H,25,26)
InChIKey OXAFDQSFACYGSS-UHFFFAOYSA-N
Molecular Weight 352.474 g/mol
SMILES OC(c1ccc(C(c2c(cc(cc2C(C)C)C(C)C)C(C)C)=O)cc1)=O
SPLASH splash10-0pb9-0019000000-658dccd6f0c910581250
Source of Spectrum J-63-5645-5
Synonyms 4-[2,4,6-tri(propan-2-yl)benzoyl]benzoic acid 4-[2,4,6-tri(propan-2-yl)phenyl]carbonylbenzoic acid 4-[oxo-[2,4,6-tri(propan-2-yl)phenyl]methyl]benzoic acid
Wiley ID 1343661