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3(2H)-benzofuranone, 7-[(hexahydro-1H-azepin-1-yl)methyl]-6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylene]-, (2E)-
SpectraBase Compound ID FntTkEPlRH9
InChI InChI=1S/C25H26N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)14-23-24(29)19-10-11-22(28)20(25(19)30-23)16-27-12-6-2-3-7-13-27/h4-5,8-11,14-15,28H,2-3,6-7,12-13,16H2,1H3/b23-14+
InChIKey QQQRMOCVPMLHGQ-OEAKJJBVSA-N
Mol Weight 402.49 g/mol
Molecular Formula C25H26N2O3
Exact Mass 402.194343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AB4BSPcJt2h
Name 3(2H)-benzofuranone, 7-[(hexahydro-1H-azepin-1-yl)methyl]-6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylene]-, (2E)-
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/C25H26N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)14-23-24(29)19-10-11-22(28)20(25(19)30-23)16-27-12-6-2-3-7-13-27/h4-5,8-11,14-15,28H,2-3,6-7,12-13,16H2,1H3/b23-14+
InChIKey QQQRMOCVPMLHGQ-OEAKJJBVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3952
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: F19379; Labnumber: ExLab-N0307-0053