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Benzoic acid, 4-methoxy-, 3-methyl-4-(1-methylethyl)phenyl ester
SpectraBase Compound ID BzPwdvOZOQx
InChI InChI=1S/C18H20O3/c1-12(2)17-10-9-16(11-13(17)3)21-18(19)14-5-7-15(20-4)8-6-14/h5-12H,1-4H3
InChIKey KQEPIIOAYPUELQ-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJbLrzBIws2
Name Benzoic acid, 4-methoxy-, 3-methyl-4-(1-methylethyl)phenyl ester
CAS Registry Number 129375-07-1
Comments Less than 3 mono-isotopic peaks
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Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-12(2)17-10-9-16(11-13(17)3)21-18(19)14-5-7-15(20-4)8-6-14/h5-12H,1-4H3
InChIKey KQEPIIOAYPUELQ-UHFFFAOYSA-N
Molecular Weight 284.355 g/mol
SMILES C(Oc1cc(C)c(cc1)C(C)C)(c1ccc(cc1)OC)=O
SPLASH splash10-000i-0910000000-b28be63f8138b39eb322
Source of Spectrum AH-121-233-21
Synonyms 3-Methyl-4-(1-methylethyl)phenyl 4-methoxybenzoate 4-isopropyl-3-methylphenyl 4-methoxybenzoate 4-methoxybenzoic acid (3-methyl-4-propan-2-ylphenyl) ester (3-methyl-4-propan-2-ylphenyl) 4-methoxybenzoate (4-isopropyl-3-methyl-phenyl) 4-methoxybenzoate (3-methyl-4-propan-2-yl-phenyl) 4-methoxybenzoate
Wiley ID 1288261