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cyclohexanone, 4-(1,1-dimethylpropyl)-2,6-bis[[3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-, (2E,6E)-
SpectraBase Compound ID DgDJmvfix77
InChI InChI=1S/C39H48N4O3/c1-10-39(6,7)35-21-31(17-29-11-13-36(45-8)33(19-29)23-42-27(4)15-25(2)40-42)38(44)32(22-35)18-30-12-14-37(46-9)34(20-30)24-43-28(5)16-26(3)41-43/h11-20,35H,10,21-24H2,1-9H3/b31-17+,32-18+
InChIKey OASNCYFCDFIWBS-LTTYKRRRSA-N
Mol Weight 620.8 g/mol
Molecular Formula C39H48N4O3
Exact Mass 620.372641 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L2abio1xAc6
Name cyclohexanone, 4-(1,1-dimethylpropyl)-2,6-bis[[3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-, (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 620.372641419 u
Formula C39H48N4O3
InChI InChI=1S/C39H48N4O3/c1-10-39(6,7)35-21-31(17-29-11-13-36(45-8)33(19-29)23-42-27(4)15-25(2)40-42)38(44)32(22-35)18-30-12-14-37(46-9)34(20-30)24-43-28(5)16-26(3)41-43/h11-20,35H,10,21-24H2,1-9H3/b31-17+,32-18+
InChIKey OASNCYFCDFIWBS-LTTYKRRRSA-N
Molecular Weight 620.838 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_3927
Solvent DMSO-d6
Source Vendor ID: NMR/13279302