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1-N-[4-[4,4-dimethyl-6-oxo-2-(prop-2-enylamino)cyclohexen-1-yl]-4-oxobutyl]-2-N-prop-2-enylbenzene-1,2-dicarboxamide

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1-N-[4-[4,4-dimethyl-6-oxo-2-(prop-2-enylamino)cyclohexen-1-yl]-4-oxobutyl]-2-N-prop-2-enylbenzene-1,2-dicarboxamide
SpectraBase Compound ID FtJXMt88x5H
InChI InChI=1S/C26H33N3O4/c1-5-13-27-20-16-26(3,4)17-22(31)23(20)21(30)12-9-15-29-25(33)19-11-8-7-10-18(19)24(32)28-14-6-2/h5-8,10-11,27H,1-2,9,12-17H2,3-4H3,(H,28,32)(H,29,33)
InChIKey MIAAZRJBYITALJ-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C26H33N3O4
Exact Mass 451.247107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SJuT5Afrzt
Name 1-N-[4-[4,4-Dimethyl-6-oxo-2-(prop-2-enylamino)cyclohexen-1-yl]-4-oxobutyl]-2-N-prop-2-enylbenzene-1,2-dicarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.247106551 u
Formula C26H33N3O4
InChI InChI=1S/C26H33N3O4/c1-5-13-27-20-16-26(3,4)17-22(31)23(20)21(30)12-9-15-29-25(33)19-11-8-7-10-18(19)24(32)28-14-6-2/h5-8,10-11,27H,1-2,9,12-17H2,3-4H3,(H,28,32)(H,29,33)
InChIKey MIAAZRJBYITALJ-UHFFFAOYSA-N
Molecular Weight 451.567 g/mol
SMILES C=1(CC(CC(C1C(CCCNC(=O)C=1C(=CC=CC1)C(NCC=C)=O)=O)=O)(C)C)NCC=C