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5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1-piperazinyl]ethyl}amino)methylene]-1,3-cyclohexanedione
SpectraBase Compound ID J3wdekLHmQ2
InChI InChI=1S/C28H31N3O4/c1-19-6-8-20(9-7-19)21-16-25(32)24(26(33)17-21)18-29-10-11-30-12-14-31(15-13-30)27-22-4-2-3-5-23(22)28(34)35-27/h2-9,18,21,27,29H,10-17H2,1H3/b24-18-
InChIKey FSRMDEMJWBXXNM-MOHJPFBDSA-N
Mol Weight 473.57 g/mol
Molecular Formula C28H31N3O4
Exact Mass 473.231456 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ARQlJJCO4Oo
Name 5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1-piperazinyl]ethyl}amino)methylene]-1,3-cyclohexanedione
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/C28H31N3O4/c1-19-6-8-20(9-7-19)21-16-25(32)24(26(33)17-21)18-29-10-11-30-12-14-31(15-13-30)27-22-4-2-3-5-23(22)28(34)35-27/h2-9,18,21,27,29H,10-17H2,1H3/b24-18-
InChIKey FSRMDEMJWBXXNM-MOHJPFBDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29171
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: D91280; Labnumber: VGU-23177; SBI_ID: SBI-029175
Temperature 318 °C