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3(2H)-benzofuranone, 2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-7-[(hexahydro-1H-azepin-1-yl)methyl]-6-hydroxy-, (2Z)-
SpectraBase Compound ID 6VKFTUi2rgE
InChI InChI=1S/C24H24BrNO5/c25-17-9-15(23-16(10-17)13-29-14-30-23)11-21-22(28)18-5-6-20(27)19(24(18)31-21)12-26-7-3-1-2-4-8-26/h5-6,9-11,27H,1-4,7-8,12-14H2/b21-11-
InChIKey OUIRXBUQXJACHZ-NHDPSOOVSA-N
Mol Weight 486.36 g/mol
Molecular Formula C24H24BrNO5
Exact Mass 485.083786 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMAGo62ryEX
Name 3(2H)-benzofuranone, 2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-7-[(hexahydro-1H-azepin-1-yl)methyl]-6-hydroxy-, (2Z)-
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/C24H24BrNO5/c25-17-9-15(23-16(10-17)13-29-14-30-23)11-21-22(28)18-5-6-20(27)19(24(18)31-21)12-26-7-3-1-2-4-8-26/h5-6,9-11,27H,1-4,7-8,12-14H2/b21-11-
InChIKey OUIRXBUQXJACHZ-NHDPSOOVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3945
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: F19341; Labnumber: ExLab-N0305-0591