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(E)-4-(4-Bromophenyl)-4-methoxy-2-oxo-but-3-enoic acid ethyl ester
SpectraBase Compound ID La5KJgGo2nr
InChI InChI=1S/C13H13BrO4/c1-3-18-13(16)11(15)8-12(17-2)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3/b12-8+
InChIKey JLQHLEUTRNGLPO-XYOKQWHBSA-N
Mol Weight 313.15 g/mol
Molecular Formula C13H13BrO4
Exact Mass 311.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7Z5ZiiKSpV
Name (E)-4-(4-Bromophenyl)-4-methoxy-2-oxo-but-3-enoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrO4
InChI InChI=1S/C13H13BrO4/c1-3-18-13(16)11(15)8-12(17-2)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3/b12-8+
InChIKey JLQHLEUTRNGLPO-XYOKQWHBSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.g28
Molecular Weight 313.147 g/mol
SMILES c1(Br)ccc(cc1)\C(=C/C(C(=O)OCC)=O)OC
SPLASH splash10-05mx-9750000000-20cf16b42153be7c7b8c
Source of Spectrum ARK-2007-291-2d
Wiley ID 1869006