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ethyl 1-{[(2Z)-3-bromo-4-(4-butoxyphenyl)-4-oxo-2-butenoyl]amino}cyclohexanecarboxylate
SpectraBase Compound ID DLIxWGmRTwC
InChI InChI=1S/C23H30BrNO5/c1-3-5-15-30-18-11-9-17(10-12-18)21(27)19(24)16-20(26)25-23(22(28)29-4-2)13-7-6-8-14-23/h9-12,16H,3-8,13-15H2,1-2H3,(H,25,26)/b19-16-
InChIKey MTJVJOWBWDNCEQ-MNDPQUGUSA-N
Mol Weight 480.4 g/mol
Molecular Formula C23H30BrNO5
Exact Mass 479.130736 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ei1e0VGWmR0
Name ethyl 1-{[(2Z)-3-bromo-4-(4-butoxyphenyl)-4-oxo-2-butenoyl]amino}cyclohexanecarboxylate
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/C23H30BrNO5/c1-3-5-15-30-18-11-9-17(10-12-18)21(27)19(24)16-20(26)25-23(22(28)29-4-2)13-7-6-8-14-23/h9-12,16H,3-8,13-15H2,1-2H3,(H,25,26)/b19-16-
InChIKey MTJVJOWBWDNCEQ-MNDPQUGUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16748
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: 987/00004329; Labnumber: 987/00004329218852; VK_ID: VK-016753
Synonyms ethyl 1-{[3-bromo-4-(4-butoxyphenyl)-4-oxo-2-butenoyl]amino}cyclohexanecarboxylate
Temperature 318 °C