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3(2H)-benzofuranone, 7-[(hexahydro-1H-azepin-1-yl)methyl]-6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylene]-, (2E)-
SpectraBase Compound ID 4ffX4Uwo3Qw
InChI InChI=1S/C26H28N2O4/c1-27-15-17(20-14-18(31-2)7-9-22(20)27)13-24-25(30)19-8-10-23(29)21(26(19)32-24)16-28-11-5-3-4-6-12-28/h7-10,13-15,29H,3-6,11-12,16H2,1-2H3/b24-13+
InChIKey XQEGIQXNSJOPGI-ZMOGYAJESA-N
Mol Weight 432.52 g/mol
Molecular Formula C26H28N2O4
Exact Mass 432.204907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GWAJtqQIfC0
Name 3(2H)-benzofuranone, 7-[(hexahydro-1H-azepin-1-yl)methyl]-6-hydroxy-2-[(5-methoxy-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/C26H28N2O4/c1-27-15-17(20-14-18(31-2)7-9-22(20)27)13-24-25(30)19-8-10-23(29)21(26(19)32-24)16-28-11-5-3-4-6-12-28/h7-10,13-15,29H,3-6,11-12,16H2,1-2H3/b24-13+
InChIKey XQEGIQXNSJOPGI-ZMOGYAJESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3953
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: F19380; Labnumber: ExLab-N0307-0056