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2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl benzoate
SpectraBase Compound ID 4mEMsLzaiuX
InChI InChI=1S/C30H36O3/c1-19-14-22(26(31)24(16-19)29(3,4)5)18-23-15-20(2)17-25(30(6,7)8)27(23)33-28(32)21-12-10-9-11-13-21/h9-17,31H,18H2,1-8H3
InChIKey QVSUOEOYDMVOAH-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C30H36O3
Exact Mass 444.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0lmQVoogZ0
Name 2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl benzoate
Alternate Name(s) benzoic acid [2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] ester [2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzoate [2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenyl] benzoate [2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl] benzoate
CAS Registry Number 71840-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O3
InChI InChI=1S/C30H36O3/c1-19-14-22(26(31)24(16-19)29(3,4)5)18-23-15-20(2)17-25(30(6,7)8)27(23)33-28(32)21-12-10-9-11-13-21/h9-17,31H,18H2,1-8H3
InChIKey QVSUOEOYDMVOAH-UHFFFAOYSA-N
Molecular Weight 444.615 g/mol
SMILES Oc1c(cc(C)cc1C(C)(C)C)Cc1cc(C)cc(c1OC(c1ccccc1)=O)C(C)(C)C
SPLASH splash10-0a6r-2901400000-ad8b75517d39fa7b7e5c
Source of Spectrum O-14-287-1
Wiley ID 1386215