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3-Bromo-3-butenoic acid methyl ester
SpectraBase Compound ID IOonp82BTmJ
InChI InChI=1S/C5H7BrO2/c1-4(6)3-5(7)8-2/h1,3H2,2H3
InChIKey NGEADJQKBPITGZ-UHFFFAOYSA-N
Mol Weight 179.01 g/mol
Molecular Formula C5H7BrO2
Exact Mass 177.962942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS9dbWEWJN1
Name 3-Bromo-3-butenoic acid methyl ester
Alternate Name(s) 3-bromobut-3-enoic acid methyl ester methyl 3-bromanylbut-3-enoate methyl 3-bromobut-3-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C5H7BrO2
InChI InChI=1S/C5H7BrO2/c1-4(6)3-5(7)8-2/h1,3H2,2H3
InChIKey NGEADJQKBPITGZ-UHFFFAOYSA-N
Molecular Weight 179.013 g/mol
SMILES C(C(=O)OC)C(=C)Br
SPLASH splash10-0002-9200000000-5f295ed74c5c5ed30bbc
Source of Spectrum J-63-4523-2
Wiley ID 1173509