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(2E)-4-({4-[(4-{[(2E)-3-carboxy-2-propenoyl]amino}cyclohexyl)methyl]cyclohexyl}amino)-4-oxo-2-butenoic acid
SpectraBase Compound ID IeUgihbQZzF
InChI InChI=1S/C21H30N2O6/c24-18(9-11-20(26)27)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21(28)29/h9-12,14-17H,1-8,13H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/b11-9+,12-10+
InChIKey BLTIEBKCXGOZGJ-WGDLNXRISA-N
Mol Weight 406.48 g/mol
Molecular Formula C21H30N2O6
Exact Mass 406.210387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GEzEX0bVY5G
Name (2E)-4-({4-[(4-{[(2E)-3-carboxy-2-propenoyl]amino}cyclohexyl)methyl]cyclohexyl}amino)-4-oxo-2-butenoic 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/C21H30N2O6/c24-18(9-11-20(26)27)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)10-12-21(28)29/h9-12,14-17H,1-8,13H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)/b11-9+,12-10+
InChIKey BLTIEBKCXGOZGJ-WGDLNXRISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20998
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/9327719; UBI_ID: UBI-021002
Synonyms 4-({4-[(4-{[3-carboxy-2-propenoyl]amino}cyclohexyl)methyl]cyclohexyl}amino)-4-oxo-2-butenoic acid
Temperature 318 °C