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3-Bromo-5-isopropylbenzoic acid
SpectraBase Compound ID IEJ24EQNdzt
InChI InChI=1S/C10H11BrO2/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6H,1-2H3,(H,12,13)
InChIKey SRTKNJYXJIAPIR-UHFFFAOYSA-N
Mol Weight 243.1 g/mol
Molecular Formula C10H11BrO2
Exact Mass 241.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7OANu2fHwk
Name 3-Bromo-5-isopropylbenzoic acid
CAS Registry Number 112930-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11BrO2
InChI InChI=1S/C10H11BrO2/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6H,1-2H3,(H,12,13)
InChIKey SRTKNJYXJIAPIR-UHFFFAOYSA-N
Molecular Weight 243.100 g/mol
SMILES OC(c1cc(C(C)C)cc(c1)Br)=O
SPLASH splash10-004l-1390000000-c0e443a84ac1c531cdcc
Source of Spectrum B-40-1122-0
Synonyms 3-Bromo-5-propan-2-ylbenzoic acid 3-Bromanyl-5-propan-2-yl-benzoic acid
Wiley ID 1244568