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5-Bromo-2-benzofuranacrylic acid, ethyl ester
SpectraBase Compound ID 7x6VN2PFkyJ
InChI InChI=1S/C13H11BrO3/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3-8H,2H2,1H3
InChIKey SGIDOIVNGYHWPH-UHFFFAOYSA-N
Mol Weight 295.13 g/mol
Molecular Formula C13H11BrO3
Exact Mass 293.989157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUcC6gaCGdy
Name 5-Bromo-2-benzofuranacrylic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 293.989157211 u
Formula C13H11BrO3
InChI InChI=1S/C13H11BrO3/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3-8H,2H2,1H3
InChIKey SGIDOIVNGYHWPH-UHFFFAOYSA-N
SMILES C=12C=C(C=CC1OC(=C2)C=CC(=O)OCC)Br