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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6BVnCNSO0dK
Name (2E)-3-(1-Benzyl-3-phenyl-1H-pyrazol-5-yl)prop-2-enoate
Alternate Name(s) Ethyl (E)-3-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1016/j.tet.2015.03.079
Molecular Weight 332.403 g/mol
SMILES c1([n](nc(c1)-c1ccccc1)Cc1ccccc1)\C=C\C(OCC)=O
SPLASH splash10-001l-5239000000-c914f42e2e2091d6a6e7
Source of Spectrum F-71-2837-12f
Wiley ID 1803019