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3-Bromo-2-thiophenecarboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

3-Bromo-2-thiophenecarboxylic acid methyl ester
SpectraBase Compound ID 9OlsaJaGHfJ
InChI InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey PEGSJNCGPSIJOX-UHFFFAOYSA-N
Mol Weight 221.07 g/mol
Molecular Formula C6H5BrO2S
Exact Mass 219.919364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTT7W8UJKf9
Name 3-Bromo-2-thiophenecarboxylic acid methyl ester
Appearance off-white crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5BrO2S
InChI InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey PEGSJNCGPSIJOX-UHFFFAOYSA-N
Instrument Name Agilent 5977B
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202103669
Molecular Weight 221.068 g/mol
Quality 254
SMILES C1(Br)=C(SC=C1)C(=O)OC
SPLASH splash10-0006-1910000000-c84ab753f1c7de07cebb
Source of Spectrum QE-28-SM38-2ag (DOI: 10.1002/chem.202103669)
Wiley ID 1898354