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3-[(2-{[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}anilino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid
SpectraBase Compound ID 4zanWnf94O7
InChI InChI=1S/C22H28N4O3/c1-14-15(13-26(5)25-14)12-23-17-8-6-7-9-18(17)24-19(27)16-10-11-22(4,20(28)29)21(16,2)3/h6-9,12-13,16H,10-11H2,1-5H3,(H,24,27)(H,28,29)/b23-12+
InChIKey IBJCDXKRRNMNMA-FSJBWODESA-N
Mol Weight 396.49 g/mol
Molecular Formula C22H28N4O3
Exact Mass 396.216141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CtSxZSiI4L1
Name 3-[(2-{[(E)-(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}anilino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic 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/C22H28N4O3/c1-14-15(13-26(5)25-14)12-23-17-8-6-7-9-18(17)24-19(27)16-10-11-22(4,20(28)29)21(16,2)3/h6-9,12-13,16H,10-11H2,1-5H3,(H,24,27)(H,28,29)/b23-12+
InChIKey IBJCDXKRRNMNMA-FSJBWODESA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_8811
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1026148; Labnumber: FED0397; UZI_ID: UZI-008813
Synonyms 3-[(2-{[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]amino}anilino)carbonyl]-1,2,2-trimethylcyclopentanecarboxylic acid
Temperature 318 °C