For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
benzo[b]thiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-[[(E)-[3-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)oxy]phenyl]methylidene]amino]-
SpectraBase Compound ID BkByHqoVK0
InChI InChI=1S/C24H22N6O3S/c1-28-19-20(29(2)24(32)30(3)22(19)31)27-23(28)33-15-8-6-7-14(11-15)13-26-21-17(12-25)16-9-4-5-10-18(16)34-21/h6-8,11,13H,4-5,9-10H2,1-3H3/b26-13+
InChIKey XECUDRTZQKHHHU-LGJNPRDNSA-N
Mol Weight 474.54 g/mol
Molecular Formula C24H22N6O3S
Exact Mass 474.14741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KiWAsJkUkXW
Name benzo[b]thiophene-3-carbonitrile, 4,5,6,7-tetrahydro-2-[[(E)-[3-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)oxy]phenyl]methylidene]amino]-
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/C24H22N6O3S/c1-28-19-20(29(2)24(32)30(3)22(19)31)27-23(28)33-15-8-6-7-14(11-15)13-26-21-17(12-25)16-9-4-5-10-18(16)34-21/h6-8,11,13H,4-5,9-10H2,1-3H3/b26-13+
InChIKey XECUDRTZQKHHHU-LGJNPRDNSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1239
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: NMR/11229134