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3-((4E)-4-{4-[ethyl(methyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID ERThiF5ozxp
InChI InChI=1S/C21H21N3O3/c1-4-23(3)17-10-8-15(9-11-17)12-19-14(2)22-24(20(19)25)18-7-5-6-16(13-18)21(26)27/h5-13H,4H2,1-3H3,(H,26,27)/b19-12+
InChIKey ZFVGECUCVZXBDE-XDHOZWIPSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHY5Z2vhu16
Name 3-((4E)-4-{4-[ethyl(methyl)amino]benzylidene}-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/C21H21N3O3/c1-4-23(3)17-10-8-15(9-11-17)12-19-14(2)22-24(20(19)25)18-7-5-6-16(13-18)21(26)27/h5-13H,4H2,1-3H3,(H,26,27)/b19-12+
InChIKey ZFVGECUCVZXBDE-XDHOZWIPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15711
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/8022026; UBI_ID: UBI-015714
Synonyms 3-(4-{4-[ethyl(methyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Temperature 313 °C