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1H-isoindole-1,3(2H)-dione, 2-[4-[[3,4,5,6,7,8-hexahydro-7-methyl-4-oxo-3-(2-propenyl)benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]thio]butyl]-
SpectraBase Compound ID 1jT6e8xnScq
InChI InChI=1S/C26H27N3O3S2/c1-3-12-29-25(32)21-19-11-10-16(2)15-20(19)34-22(21)27-26(29)33-14-7-6-13-28-23(30)17-8-4-5-9-18(17)24(28)31/h3-5,8-9,16H,1,6-7,10-15H2,2H3
InChIKey XXBFLOCBKRHSKS-UHFFFAOYSA-N
Mol Weight 493.64 g/mol
Molecular Formula C26H27N3O3S2
Exact Mass 493.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CB3K0WvrEyV
Name 1H-isoindole-1,3(2H)-dione, 2-[4-[[3,4,5,6,7,8-hexahydro-7-methyl-4-oxo-3-(2-propenyl)benzo[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/C26H27N3O3S2/c1-3-12-29-25(32)21-19-11-10-16(2)15-20(19)34-22(21)27-26(29)33-14-7-6-13-28-23(30)17-8-4-5-9-18(17)24(28)31/h3-5,8-9,16H,1,6-7,10-15H2,2H3
InChIKey XXBFLOCBKRHSKS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_481
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/11228096