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2-methoxy-4-{(E)-[(4-methoxybenzoyl)hydrazono]methyl}phenyl 3-fluorobenzoate
SpectraBase Compound ID TTb2UhtW37
InChI InChI=1S/C23H19FN2O5/c1-29-19-9-7-16(8-10-19)22(27)26-25-14-15-6-11-20(21(12-15)30-2)31-23(28)17-4-3-5-18(24)13-17/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey PTRPUHMKYPXMJH-AFUMVMLFSA-N
Mol Weight 422.41 g/mol
Molecular Formula C23H19FN2O5
Exact Mass 422.1278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6xN2OGeUU45
Name 2-Methoxy-4-{(E)-[(4-methoxybenzoyl)hydrazono]methyl}phenyl 3-fluorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 422.127799878 u
Formula C23H19FN2O5
InChI InChI=1S/C23H19FN2O5/c1-29-19-9-7-16(8-10-19)22(27)26-25-14-15-6-11-20(21(12-15)30-2)31-23(28)17-4-3-5-18(24)13-17/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey PTRPUHMKYPXMJH-AFUMVMLFSA-N
Molecular Weight 422.412 g/mol
SMILES N(C(C1=CC=C(C=C1)OC)=O)\N=C\C1=CC=C(OC(C=2C=C(F)C=CC2)=O)C(=C1)OC