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3-(2-hydroxyphenyl)-N-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]propanamide
SpectraBase Compound ID IpSRWop98nf
InChI InChI=1S/C20H17N3O5/c24-18-4-2-1-3-14(18)7-12-20(25)22-21-13-17-10-11-19(28-17)15-5-8-16(9-6-15)23(26)27/h1-6,8-11,13,24H,7,12H2,(H,22,25)/b21-13+
InChIKey JRKFPIQMVVJFQF-FYJGNVAPSA-N
Mol Weight 379.37 g/mol
Molecular Formula C20H17N3O5
Exact Mass 379.116821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jp0lSRiMpgn
Name 3-(2-Hydroxyphenyl)-N-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]propanamide
Comments Computed using HOSE algorithm
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Exact Mass 379.116820654 u
Formula C20H17N3O5
InChI InChI=1S/C20H17N3O5/c24-18-4-2-1-3-14(18)7-12-20(25)22-21-13-17-10-11-19(28-17)15-5-8-16(9-6-15)23(26)27/h1-6,8-11,13,24H,7,12H2,(H,22,25)/b21-13+
InChIKey JRKFPIQMVVJFQF-FYJGNVAPSA-N
Molecular Weight 379.372 g/mol
SMILES C1=CC=C(CCC(N\N=C\C=2OC(C3=CC=C(N(=O)=O)C=C3)=CC2)=O)C(O)=C1