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(2E,6E)-2,6-bis[(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-methylcyclohexanone
SpectraBase Compound ID JeZyBuKUIyQ
InChI InChI=1S/C35H40N4O/c1-24(2)16-33-29(22-38(36-33)31-12-8-6-9-13-31)20-27-18-26(5)19-28(35(27)40)21-30-23-39(32-14-10-7-11-15-32)37-34(30)17-25(3)4/h6-15,20-26H,16-19H2,1-5H3/b27-20+,28-21+
InChIKey QJGMWIFWASDVRF-KUKFKUQFSA-N
Mol Weight 532.7 g/mol
Molecular Formula C35H40N4O
Exact Mass 532.320212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FtDaVYPS2lq
Name (2E,6E)-2,6-bis[(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-methylcyclohexanone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.320211923 u
Formula C35H40N4O
InChI InChI=1S/C35H40N4O/c1-24(2)16-33-29(22-38(36-33)31-12-8-6-9-13-31)20-27-18-26(5)19-28(35(27)40)21-30-23-39(32-14-10-7-11-15-32)37-34(30)17-25(3)4/h6-15,20-26H,16-19H2,1-5H3/b27-20+,28-21+
InChIKey QJGMWIFWASDVRF-KUKFKUQFSA-N
Molecular Weight 532.732 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_7893
Solvent DMSO-d6
Source Vendor ID: NMR/13218710