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Methyl 4-bromobenzoate

View entire compound with spectra: 10 NMR, 5 FTIR, 1 Raman, and 5 MS (GC)

Methyl 4-bromobenzoate
SpectraBase Compound ID I4B55rPsR8P
InChI InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey CZNGTXVOZOWWKM-UHFFFAOYSA-N
Mol Weight 215.05 g/mol
Molecular Formula C8H7BrO2
Exact Mass 213.962942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CfBUR5YA4
Name Benzoic acid, 4-bromo-, methyl ester
Alternate Name(s) 4-Bromobenzoic acid methyl ester Methyl 4-bromobenzoate Benzoic acid, p-bromo-, methyl ester Methyl 4-bromanylbenzoate Methyl p-bromobenzoate p-Bromobenzoic acid methyl ester p-Bromobenzoic acid, methyl ester 4-Bromobenzoic acid, methyl ester Methyl p-bromo benzoate EINECS 210-596-6 NSC 9392
CAS Registry Number 619-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrO2
InChI InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey CZNGTXVOZOWWKM-UHFFFAOYSA-N
Molecular Weight 215.046 g/mol
SMILES c1cc(C(OC)=O)ccc1Br
SPLASH splash10-0540-0920000000-53e84df0e8bae9e3b68b
Source of Spectrum ACI-54-2270/SM-2e
Wiley ID 1760266