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N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-3,4,5-trimethoxybenzamide

View entire compound with spectra: 2 NMR

N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-3,4,5-trimethoxybenzamide
SpectraBase Compound ID EW5q9OFcktZ
InChI InChI=1S/C20H20ClN3O4/c1-26-16-10-14(11-17(27-2)19(16)28-3)20(25)22-18-8-9-24(23-18)12-13-4-6-15(21)7-5-13/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKey PWMYEOQKHYJXQX-UHFFFAOYSA-N
Mol Weight 401.85 g/mol
Molecular Formula C20H20ClN3O4
Exact Mass 401.114234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6P8vWNLimFf
Name N-[1-(4-Chlorobenzyl)-1H-pyrazol-3-yl]-3,4,5-trimethoxybenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.114233832 u
Formula C20H20ClN3O4
InChI InChI=1S/C20H20ClN3O4/c1-26-16-10-14(11-17(27-2)19(16)28-3)20(25)22-18-8-9-24(23-18)12-13-4-6-15(21)7-5-13/h4-11H,12H2,1-3H3,(H,22,23,25)
InChIKey PWMYEOQKHYJXQX-UHFFFAOYSA-N
Molecular Weight 401.850 g/mol
SMILES N(C1=NN(C=C1)CC1=CC=C(Cl)C=C1)C(C1=CC(=C(C(=C1)OC)OC)OC)=O