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2-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
SpectraBase Compound ID 1KALf23vNgG
InChI InChI=1S/C21H19NO4/c23-18-9-16(15-4-2-1-3-5-15)10-19(24)17(18)12-22-11-14-6-7-20-21(8-14)26-13-25-20/h1-8,12,16,22H,9-11,13H2/b17-12-
InChIKey ZBEIBHWTFMMBAC-ATVHPVEESA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 93F9q6bvVFm
Name 2-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-5-phenyl-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/C21H19NO4/c23-18-9-16(15-4-2-1-3-5-15)10-19(24)17(18)12-22-11-14-6-7-20-21(8-14)26-13-25-20/h1-8,12,16,22H,9-11,13H2/b17-12-
InChIKey ZBEIBHWTFMMBAC-ATVHPVEESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11031
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: UZI/9082652; UBI_ID: UBI-011034
Temperature 308 °C