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1H-isoindole-1,3(2H)-dione, 2-[4-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]butyl]-

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1H-isoindole-1,3(2H)-dione, 2-[4-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]butyl]-
SpectraBase Compound ID FV8i6DqFO5r
InChI InChI=1S/C28H25N3O3S2/c32-25-19-12-4-5-13-20(19)26(33)30(25)16-8-9-17-35-28-29-24-23(21-14-6-7-15-22(21)36-24)27(34)31(28)18-10-2-1-3-11-18/h1-5,10-13H,6-9,14-17H2
InChIKey HQWBZLJHXBWREB-UHFFFAOYSA-N
Mol Weight 515.65 g/mol
Molecular Formula C28H25N3O3S2
Exact Mass 515.133734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4YsHDQnoyXV
Name 1H-isoindole-1,3(2H)-dione, 2-[4-[(3,4,5,6,7,8-hexahydro-4-oxo-3-phenylbenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio]butyl]-
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/C28H25N3O3S2/c32-25-19-12-4-5-13-20(19)26(33)30(25)16-8-9-17-35-28-29-24-23(21-14-6-7-15-22(21)36-24)27(34)31(28)18-10-2-1-3-11-18/h1-5,10-13H,6-9,14-17H2
InChIKey HQWBZLJHXBWREB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_235
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/11219926