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cyclohexanone, 2,6-bis[[3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-4-methyl-, (2E,6E)-
SpectraBase Compound ID 1sBudUHRagc
InChI InChI=1S/C35H40N4O3/c1-22-12-29(16-27-8-10-33(41-6)31(18-27)20-38-25(4)14-23(2)36-38)35(40)30(13-22)17-28-9-11-34(42-7)32(19-28)21-39-26(5)15-24(3)37-39/h8-11,14-19,22H,12-13,20-21H2,1-7H3/b29-16+,30-17+
InChIKey OOVWKBZIRUSPSP-RKMZGRCJSA-N
Mol Weight 564.7 g/mol
Molecular Formula C35H40N4O3
Exact Mass 564.310041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ghi5kwRfId5
Name cyclohexanone, 2,6-bis[[3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-4-methyl-, (2E,6E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.310041161 u
Formula C35H40N4O3
InChI InChI=1S/C35H40N4O3/c1-22-12-29(16-27-8-10-33(41-6)31(18-27)20-38-25(4)14-23(2)36-38)35(40)30(13-22)17-28-9-11-34(42-7)32(19-28)21-39-26(5)15-24(3)37-39/h8-11,14-19,22H,12-13,20-21H2,1-7H3/b29-16+,30-17+
InChIKey OOVWKBZIRUSPSP-RKMZGRCJSA-N
Molecular Weight 564.730 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2324
Solvent DMSO-d6
Source Vendor ID: NMR/13268609