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4-(2-Bromo-4-chloro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

4-(2-Bromo-4-chloro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester
SpectraBase Compound ID 2S1jDvNDhSQ
InChI InChI=1S/C13H12BrClO2/c1-3-17-13(16)9(2)4-5-10-6-7-11(15)8-12(10)14/h5-8H,3H2,1-2H3
InChIKey GGSBYNFYEQIVDN-UHFFFAOYSA-N
Mol Weight 315.59 g/mol
Molecular Formula C13H12BrClO2
Exact Mass 313.97092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlJhDLBmC7o
Name 4-(2-Bromo-4-chloro-phenyl)-2-methyl-buta-2,3-dienoic acid ethyl ester
Alternate Name(s) Ethyl 4-(2-bromo-4-chlorophenyl)-2-methylbuta-2,3-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12BrClO2
InChI InChI=1S/C13H12BrClO2/c1-3-17-13(16)9(2)4-5-10-6-7-11(15)8-12(10)14/h5-8H,3H2,1-2H3
InChIKey GGSBYNFYEQIVDN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol3018775
Molecular Weight 315.594 g/mol
SMILES c1cc(c(Br)cc1Cl)C=C=C(C)C(OCC)=O
SPLASH splash10-01rf-0792000000-e88e2f54c07ca53f4276
Source of Spectrum A1-14-4398/SMS4-1c
Wiley ID 1750517