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isopropyl 4-bromobut-2-(E)-enoate
SpectraBase Compound ID EJs5mYlXDUW
InChI InChI=1S/C7H11BrO2/c1-6(2)10-7(9)4-3-5-8/h3-4,6H,5H2,1-2H3/b4-3+
InChIKey NTZQNWLJFBXNCK-ONEGZZNKSA-N
Mol Weight 207.07 g/mol
Molecular Formula C7H11BrO2
Exact Mass 205.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyXcTBdxfyi
Name isopropyl 4-bromobut-2-(E)-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11BrO2
InChI InChI=1S/C7H11BrO2/c1-6(2)10-7(9)4-3-5-8/h3-4,6H,5H2,1-2H3/b4-3+
InChIKey NTZQNWLJFBXNCK-ONEGZZNKSA-N
Instrument Name Finnigan PolarisQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.301
Molecular Weight 207.067 g/mol
Reported Formula C7H11BrO2
SMILES C(\C=C\CBr)(=O)OC(C)C
SPLASH splash10-0a4i-1190000000-78eded71a4d7945e6bc0
Source of Spectrum BJO-9-SM6-24
Thin-Layer Chromatography Rf = 0.28 (diethyl ether/hexane, 10%)
Wiley ID 1853809