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3H-pyrazol-3-one, 2,4-dihydro-4-[[3-methoxy-4-[2-[2-(2-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-5-methyl-2-phenyl-, (4E)-

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3H-pyrazol-3-one, 2,4-dihydro-4-[[3-methoxy-4-[2-[2-(2-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-5-methyl-2-phenyl-, (4E)-
SpectraBase Compound ID JGEDUqZ6yDx
InChI InChI=1S/C29H30N2O5/c1-21-9-7-8-12-26(21)35-17-15-34-16-18-36-27-14-13-23(20-28(27)33-3)19-25-22(2)30-31(29(25)32)24-10-5-4-6-11-24/h4-14,19-20H,15-18H2,1-3H3/b25-19+
InChIKey NEHIFMGCXHAGOT-NCELDCMTSA-N
Mol Weight 486.57 g/mol
Molecular Formula C29H30N2O5
Exact Mass 486.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTaVOC4ZtGL
Name 3H-Pyrazol-3-one, 2,4-dihydro-4-[[3-methoxy-4-[2-[2-(2-methylphenoxy)ethoxy]ethoxy]phenyl]methylene]-5-methyl-2-phenyl-, (4E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.215472069 u
Formula C29H30N2O5
InChI InChI=1S/C29H30N2O5/c1-21-9-7-8-12-26(21)35-17-15-34-16-18-36-27-14-13-23(20-28(27)33-3)19-25-22(2)30-31(29(25)32)24-10-5-4-6-11-24/h4-14,19-20H,15-18H2,1-3H3/b25-19+
InChIKey NEHIFMGCXHAGOT-NCELDCMTSA-N
Molecular Weight 486.568 g/mol
SMILES C1(\C(C(=NN1C=1C=CC=CC1)C)=C\C=1C=C(OC)C(=CC1)OCCOCCOC1=C(C)C=CC=C1)=O