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(2E)-3-(1-Benzyl-3-phenyl-1H-pyrazol-5-yl)prop-2-enoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2E)-3-(1-Benzyl-3-phenyl-1H-pyrazol-5-yl)prop-2-enoate
SpectraBase Compound ID 4oaFlxxRNad
InChI InChI=1S/C21H20N2O2/c1-2-25-21(24)14-13-19-15-20(18-11-7-4-8-12-18)22-23(19)16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/b14-13+
InChIKey NXLLHQCUPAHRCM-BUHFOSPRSA-N
Mol Weight 332.4 g/mol
Molecular Formula C21H20N2O2
Exact Mass 332.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID a0av4xSZc4
Name (2E)-3-(1-Benzyl-3-phenyl-1H-pyrazol-5-yl)prop-2-enoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.152477890 u
Formula C21H20N2O2
InChI InChI=1S/C21H20N2O2/c1-2-25-21(24)14-13-19-15-20(18-11-7-4-8-12-18)22-23(19)16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/b14-13+
InChIKey NXLLHQCUPAHRCM-BUHFOSPRSA-N
Molecular Weight 332.403 g/mol
SMILES C=1(N(N=C(C1)C1=CC=CC=C1)CC1=CC=CC=C1)\C=C\C(OCC)=O