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methyl 4-((E)-{(3E)-5-tert-butyl-3-[4-(methoxycarbonyl)benzylidene]-2-oxocyclohexylidene}methyl)benzoate
SpectraBase Compound ID GNR0btvns6M
InChI InChI=1S/C28H30O5/c1-28(2,3)24-16-22(14-18-6-10-20(11-7-18)26(30)32-4)25(29)23(17-24)15-19-8-12-21(13-9-19)27(31)33-5/h6-15,24H,16-17H2,1-5H3/b22-14+,23-15+
InChIKey NADWIFYTOHURMR-HOFJZWJUSA-N
Mol Weight 446.54 g/mol
Molecular Formula C28H30O5
Exact Mass 446.209324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LWWPzyFQUjp
Name methyl 4-((E)-{(3E)-5-tert-butyl-3-[4-(methoxycarbonyl)benzylidene]-2-oxocyclohexylidene}methyl)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H30O5/c1-28(2,3)24-16-22(14-18-6-10-20(11-7-18)26(30)32-4)25(29)23(17-24)15-19-8-12-21(13-9-19)27(31)33-5/h6-15,24H,16-17H2,1-5H3/b22-14+,23-15+
InChIKey NADWIFYTOHURMR-HOFJZWJUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13687
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: 200656; Labnumber: SPYAK-076; VK_ID: VK-013692
Synonyms methyl 4-({5-tert-butyl-3-[4-(methoxycarbonyl)benzylidene]-2-oxocyclohexylidene}methyl)benzoate
Temperature 318 °C