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3,5-pyridinedicarboxylic acid, 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, bis(2-methoxyethyl) ester

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3,5-pyridinedicarboxylic acid, 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, bis(2-methoxyethyl) ester
SpectraBase Compound ID AfOZykrToOB
InChI InChI=1S/C30H32FN3O6/c1-19-25(29(35)39-16-14-37-3)27(26(20(2)32-19)30(36)40-17-15-38-4)24-18-34(23-8-6-5-7-9-23)33-28(24)21-10-12-22(31)13-11-21/h5-13,18,27,32H,14-17H2,1-4H3
InChIKey HDLPWWSIUOGKRF-UHFFFAOYSA-N
Mol Weight 549.6 g/mol
Molecular Formula C30H32FN3O6
Exact Mass 549.227514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3j4KDzDqPrS
Name 3,5-Pyridinedicarboxylic acid, 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,4-dihydro-2,6-dimethyl-, bis(2-methoxyethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.227513919 u
Formula C30H32FN3O6
InChI InChI=1S/C30H32FN3O6/c1-19-25(29(35)39-16-14-37-3)27(26(20(2)32-19)30(36)40-17-15-38-4)24-18-34(23-8-6-5-7-9-23)33-28(24)21-10-12-22(31)13-11-21/h5-13,18,27,32H,14-17H2,1-4H3
InChIKey HDLPWWSIUOGKRF-UHFFFAOYSA-N
Molecular Weight 549.599 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCCOC)C=1C(=NN(C1)C=1C=CC=CC1)C1=CC=C(C=C1)F)C(=O)OCCOC)C