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3-[(4Z)-4-(4-butoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID AUvpupVNBtW
InChI InChI=1S/C23H24N2O5/c1-4-5-11-30-20-10-9-16(13-21(20)29-3)12-19-15(2)24-25(22(19)26)18-8-6-7-17(14-18)23(27)28/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,28)/b19-12-
InChIKey DJRAZQQAVFCKES-UNOMPAQXSA-N
Mol Weight 408.45 g/mol
Molecular Formula C23H24N2O5
Exact Mass 408.168522 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BUfYWqX2lC
Name 3-[(4Z)-4-(4-butoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H24N2O5/c1-4-5-11-30-20-10-9-16(13-21(20)29-3)12-19-15(2)24-25(22(19)26)18-8-6-7-17(14-18)23(27)28/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,28)/b19-12-
InChIKey DJRAZQQAVFCKES-UNOMPAQXSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7800
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9014910; UBI_ID: UBI-007803
Synonyms 3-[4-(4-butoxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 308 °C