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Ethyl 3-bromobenzoate

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 4 MS (GC)

Ethyl 3-bromobenzoate
SpectraBase Compound ID HeLmIGsx2BG
InChI InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey QAUASTLEZAPQTB-UHFFFAOYSA-N
Mol Weight 229.07 g/mol
Molecular Formula C9H9BrO2
Exact Mass 227.978593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CiR32jcsy
Name Benzoic acid, 3-bromo-, ethyl ester
Alternate Name(s) 3-Bromobenzoic acid ethyl ester Ethyl 3-bromobenzoate Benzoic acid, m-bromo-, ethyl ester Ethyl 3-bromanylbenzoate Ethyl,3-bromo benzene carboxylate 3-Bromobenzoic acid, ethyl ester EINECS 246-223-9
CAS Registry Number 24398-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9BrO2
InChI InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey QAUASTLEZAPQTB-UHFFFAOYSA-N
Molecular Weight 229.073 g/mol
SMILES c1(cc(ccc1)Br)C(=O)OCC
SPLASH splash10-0uei-3940000000-d960e2e7aa5eac106064
Source of Spectrum JX-2015-6-10667
Wiley ID 1730759