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Benzoic acid, 4-methoxy-, 2-(1,1-dimethylethyl)-5-methyl-4-(1-methylethyl)phenyl ester
SpectraBase Compound ID 4TycUpxj3LI
InChI InChI=1S/C22H28O3/c1-14(2)18-13-19(22(4,5)6)20(12-15(18)3)25-21(23)16-8-10-17(24-7)11-9-16/h8-14H,1-7H3
InChIKey KBRYOYZJKFWGGH-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C22H28O3
Exact Mass 340.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4pibJNYrmQ
Name Benzoic acid, 4-methoxy-, 2-(1,1-dimethylethyl)-5-methyl-4-(1-methylethyl)phenyl ester
Alternate Name(s) 2-(1,1-Dimethylethyl)-5-methyl-4-(1-methylethyl)phenyl 4-methoxybenzoate 2-tert-butyl-4-isopropyl-5-methylphenyl 4-methoxybenzoate 4-methoxybenzoic acid (2-tert-butyl-5-methyl-4-propan-2-ylphenyl) ester (2-tert-butyl-5-methyl-4-propan-2-ylphenyl) 4-methoxybenzoate (2-tert-butyl-4-isopropyl-5-methyl-phenyl) 4-methoxybenzoate (2-tert-butyl-5-methyl-4-propan-2-yl-phenyl) 4-methoxybenzoate
CAS Registry Number 129375-10-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3
InChI InChI=1S/C22H28O3/c1-14(2)18-13-19(22(4,5)6)20(12-15(18)3)25-21(23)16-8-10-17(24-7)11-9-16/h8-14H,1-7H3
InChIKey KBRYOYZJKFWGGH-UHFFFAOYSA-N
Molecular Weight 340.463 g/mol
SMILES c1(c(cc(c(c1)C)C(C)C)C(C)(C)C)OC(c1ccc(cc1)OC)=O
SPLASH splash10-000i-0900000000-52b80c07f5f7a908d9bb
Source of Spectrum AH-121-234-24
Wiley ID 1335558