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3-[5-(2-Bromo-phenyl)-furan-2-yl]-2-cyano-acrylic acid isopropyl ester
SpectraBase Compound ID GtaShOT7KLZ
InChI InChI=1S/C17H14BrNO3/c1-11(2)21-17(20)12(10-19)9-13-7-8-16(22-13)14-5-3-4-6-15(14)18/h3-9,11H,1-2H3/b12-9+
InChIKey FASBHTNBNPPAAQ-FMIVXFBMSA-N
Mol Weight 360.21 g/mol
Molecular Formula C17H14BrNO3
Exact Mass 359.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TVuvpHtlMT
Name 3-[5-(2-Bromo-phenyl)-furan-2-yl]-2-cyano-acrylic acid isopropyl ester
Alternate Name(s) (E)-3-[5-(2-bromophenyl)-2-furanyl]-2-cyano-2-propenoic acid propan-2-yl ester (E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-acrylic acid isopropyl ester isopropyl (E)-3-[5-(2-bromophenyl)-2-furyl]-2-cyano-prop-2-enoate Propan-2-yl (E)-3-[5-(2-bromophenyl)furan-2-yl]-2-cyano-prop-2-enoate
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Formula C17H14BrNO3
InChI InChI=1S/C17H14BrNO3/c1-11(2)21-17(20)12(10-19)9-13-7-8-16(22-13)14-5-3-4-6-15(14)18/h3-9,11H,1-2H3/b12-9+
InChIKey FASBHTNBNPPAAQ-FMIVXFBMSA-N
Molecular Weight 360.207 g/mol
SMILES C(\C(=C\c1oc(-c2c(Br)cccc2)cc1)C#N)(OC(C)C)=O
SPLASH splash10-02tc-6719000000-04e83db70ed33adc8d30
Wiley ID 1438077