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2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NLBK6X1sVj
Name Phenol, 2-[[2-(benzoyloxy)-3-(1,1-dimethylethyl)-5-methylphenyl]methyl]-6-(1,1-dimethylethyl)-4-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.266445016 u
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 CC1=CC(=C(C(C(C)(C)C)=C1)O)CC=1C(=C(C(C)(C)C)C=C(C)C1)OC(C=1C=CC=CC1)=O