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2-[1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl benzoate

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2-[1-acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl benzoate
SpectraBase Compound ID 6yl8SO4BGPu
InChI InChI=1S/C27H26N2O6/c1-17(30)29-23(19-10-13-24(33-3)26(14-19)34-4)16-22(28-29)21-12-11-20(32-2)15-25(21)35-27(31)18-8-6-5-7-9-18/h5-15,23H,16H2,1-4H3
InChIKey MVHUPWDAOOTSLO-UHFFFAOYSA-N
Mol Weight 474.51 g/mol
Molecular Formula C27H26N2O6
Exact Mass 474.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9fThdEC4kD
Name 2-[1-Acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-methoxyphenyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.179086559 u
Formula C27H26N2O6
InChI InChI=1S/C27H26N2O6/c1-17(30)29-23(19-10-13-24(33-3)26(14-19)34-4)16-22(28-29)21-12-11-20(32-2)15-25(21)35-27(31)18-8-6-5-7-9-18/h5-15,23H,16H2,1-4H3
InChIKey MVHUPWDAOOTSLO-UHFFFAOYSA-N
Molecular Weight 474.513 g/mol
SMILES C=1C=CC(C(OC=2C(C3=NN(C(C3)C=3C=C(OC)C(=CC3)OC)C(=O)C)=CC=C(OC)C2)=O)=CC1