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1H-isoindole-1,3(2H)-dione, 2-[2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]-
SpectraBase Compound ID DFkR0Mq3hY3
InChI InChI=1S/C26H21N3O3S2/c30-23-17-10-4-5-11-18(17)24(31)28(23)14-15-33-26-27-22-21(19-12-6-7-13-20(19)34-22)25(32)29(26)16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKey ADQIJWAWQWNKGF-UHFFFAOYSA-N
Mol Weight 487.59 g/mol
Molecular Formula C26H21N3O3S2
Exact Mass 487.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IqI1HK0ZYWw
Name 1H-isoindole-1,3(2H)-dione, 2-[2-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]ethyl]-
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/C26H21N3O3S2/c30-23-17-10-4-5-11-18(17)24(31)28(23)14-15-33-26-27-22-21(19-12-6-7-13-20(19)34-22)25(32)29(26)16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2
InChIKey ADQIJWAWQWNKGF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_632
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/11228292