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5-(3,4-Dimethoxyphenyl)-3-(o-hydroxyphenyl)-1-isonicotinoyl-2-pyrazoline

View entire compound with spectra: 2 NMR, and 1 FTIR

5-(3,4-Dimethoxyphenyl)-3-(o-hydroxyphenyl)-1-isonicotinoyl-2-pyrazoline
SpectraBase Compound ID ARbeAxQoNnu
InChI InChI=1S/C23H21N3O4/c1-29-21-8-7-16(13-22(21)30-2)19-14-18(17-5-3-4-6-20(17)27)25-26(19)23(28)15-9-11-24-12-10-15/h3-13,19,27H,14H2,1-2H3
InChIKey IDRZOMMTZOLSFL-UHFFFAOYSA-N
Mol Weight 403.44 g/mol
Molecular Formula C23H21N3O4
Exact Mass 403.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6FPfMP7jOH3
Name 5-(3,4-Dimethoxyphenyl)-3-(o-hydroxyphenyl)-1-isonicotinoyl-2-pyrazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.153206164 u
Formula C23H21N3O4
InChI InChI=1S/C23H21N3O4/c1-29-21-8-7-16(13-22(21)30-2)19-14-18(17-5-3-4-6-20(17)27)25-26(19)23(28)15-9-11-24-12-10-15/h3-13,19,27H,14H2,1-2H3
InChIKey IDRZOMMTZOLSFL-UHFFFAOYSA-N
Molecular Weight 403.438 g/mol
SMILES OC1=CC=CC=C1C1=NN(C(C1)C1=CC=C(C(=C1)OC)OC)C(C=1C=CN=CC1)=O