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2,4-Dihydro-5-methyl-4-[[2-[(3-methyl-2-butenyl)oxy]phenyl]methylene]-2-phenyl-3H-pyrazol-3-one
SpectraBase Compound ID AwoyPQE4SN7
InChI InChI=1S/C22H22N2O2/c1-16(2)13-14-26-21-12-8-7-9-18(21)15-20-17(3)23-24(22(20)25)19-10-5-4-6-11-19/h4-13,15H,14H2,1-3H3/b20-15+
InChIKey YTGRERLCYDKACP-HMMYKYKNSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EL9pXse0QRa
Name 2,4-Dihydro-5-methyl-4-[[2-[(3-methyl-2-butenyl)oxy]phenyl]methylene]-2-phenyl-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.168127954 u
Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-16(2)13-14-26-21-12-8-7-9-18(21)15-20-17(3)23-24(22(20)25)19-10-5-4-6-11-19/h4-13,15H,14H2,1-3H3/b20-15+
InChIKey YTGRERLCYDKACP-HMMYKYKNSA-N
Molecular Weight 346.430 g/mol
SMILES C1(\C(C(=NN1C1=CC=CC=C1)C)=C\C=1C(OCC=C(C)C)=CC=CC1)=O