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ethyl 1-{[(2Z)-3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoyl]amino}cyclohexanecarboxylate
SpectraBase Compound ID 3T2qxr5X1Bi
InChI InChI=1S/C20H24BrNO5/c1-3-27-19(25)20(11-5-4-6-12-20)22-17(23)13-16(21)18(24)14-7-9-15(26-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23)/b16-13-
InChIKey MKKKAUTXNYYQAE-SSZFMOIBSA-N
Mol Weight 438.32 g/mol
Molecular Formula C20H24BrNO5
Exact Mass 437.083786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3YOw3DvmGFt
Name ethyl 1-{[(2Z)-3-bromo-4-(4-methoxyphenyl)-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/C20H24BrNO5/c1-3-27-19(25)20(11-5-4-6-12-20)22-17(23)13-16(21)18(24)14-7-9-15(26-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3,(H,22,23)/b16-13-
InChIKey MKKKAUTXNYYQAE-SSZFMOIBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16739
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: 987/00004316; Labnumber: 987/00004316218852; VK_ID: VK-016744
Synonyms ethyl 1-{[3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoyl]amino}cyclohexanecarboxylate
Temperature 318 °C