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3-Furan-2-yl-acrylic acid 4-[(2-chloro-benzoyl)-hydrazonomethyl]-phenyl ester
SpectraBase Compound ID 64vd4TDOWOz
InChI InChI=1S/C21H15ClN2O4/c22-19-6-2-1-5-18(19)21(26)24-23-14-15-7-9-17(10-8-15)28-20(25)12-11-16-4-3-13-27-16/h1-14H,(H,24,26)/b12-11+,23-14+
InChIKey QBCASEZCRCYXED-OKTVNARPSA-N
Mol Weight 394.81 g/mol
Molecular Formula C21H15ClN2O4
Exact Mass 394.072035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4iFxwU71TYk
Name 3-Furan-2-yl-acrylic acid 4-[(2-chloro-benzoyl)-hydrazonomethyl]-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.072034667 u
Formula C21H15ClN2O4
InChI InChI=1S/C21H15ClN2O4/c22-19-6-2-1-5-18(19)21(26)24-23-14-15-7-9-17(10-8-15)28-20(25)12-11-16-4-3-13-27-16/h1-14H,(H,24,26)/b12-11+,23-14+
InChIKey QBCASEZCRCYXED-OKTVNARPSA-N
Molecular Weight 394.814 g/mol
SMILES C1(C(N\N=C\C=2C=CC(OC(=O)\C=C\C=3OC=CC3)=CC2)=O)=C(Cl)C=CC=C1