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Benzoic acid, 4-bromo-, (2-isopropyl-5-methylphenyl) ester

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

Benzoic acid, 4-bromo-, (2-isopropyl-5-methylphenyl) ester
SpectraBase Compound ID FHSZ4nu9TFJ
InChI InChI=1S/C17H17BrO2/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)13-5-7-14(18)8-6-13/h4-11H,1-3H3
InChIKey RFAXEEHHHOCKDG-UHFFFAOYSA-N
Mol Weight 333.23 g/mol
Molecular Formula C17H17BrO2
Exact Mass 332.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5LliKdSw7d
Name Benzoic acid, 4-bromo-, (2-isopropyl-5-methylphenyl) ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17BrO2
InChI InChI=1S/C17H17BrO2/c1-11(2)15-9-4-12(3)10-16(15)20-17(19)13-5-7-14(18)8-6-13/h4-11H,1-3H3
InChIKey RFAXEEHHHOCKDG-UHFFFAOYSA-N
Molecular Weight 333.225 g/mol
SMILES c1(OC(c2ccc(cc2)Br)=O)c(ccc(c1)C)C(C)C
SPLASH splash10-0043-9700000000-388387fd78758e63d2b6
Source of Spectrum AD-0-2532-0
Synonyms (2-isopropyl-5-methyl-phenyl) 4-bromobenzoate (5-methyl-2-propan-2-yl-phenyl) 4-bromanylbenzoate (5-methyl-2-propan-2-ylphenyl) 4-bromobenzoate 4-Bromobenzoic acid (2-isopropyl-5-methyl-phenyl) ester 4-Bromobenzoic acid (5-methyl-2-propan-2-ylphenyl) ester
Wiley ID 1424836