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3-Furan-2-yl-acrylic acid 4-[[2-(3-bromo-phenoxy)-acetyl]-hydrazonomethyl]-phenyl ester
SpectraBase Compound ID HXb2GZjHrdP
InChI InChI=1S/C22H17BrN2O5/c23-17-3-1-4-20(13-17)29-15-21(26)25-24-14-16-6-8-19(9-7-16)30-22(27)11-10-18-5-2-12-28-18/h1-14H,15H2,(H,25,26)/b11-10+,24-14+
InChIKey RGJXDABYYHMJKU-PKXMCGRUSA-N
Mol Weight 469.29 g/mol
Molecular Formula C22H17BrN2O5
Exact Mass 468.032085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YTE7o23BOn
Name 3-Furan-2-yl-acrylic acid 4-[[2-(3-bromo-phenoxy)-acetyl]-hydrazonomethyl]-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.032084650 u
Formula C22H17BrN2O5
InChI InChI=1S/C22H17BrN2O5/c23-17-3-1-4-20(13-17)29-15-21(26)25-24-14-16-6-8-19(9-7-16)30-22(27)11-10-18-5-2-12-28-18/h1-14H,15H2,(H,25,26)/b11-10+,24-14+
InChIKey RGJXDABYYHMJKU-PKXMCGRUSA-N
Molecular Weight 469.291 g/mol
SMILES C(N\N=C\C=1C=CC(OC(\C=C\C=2OC=CC2)=O)=CC1)(=O)COC=1C=C(Br)C=CC1