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acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3,4-dihydro-5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]thio]-
SpectraBase Compound ID E5AXaDxcKJM
InChI InChI=1S/C28H21N3O4S2/c1-17-7-9-18(10-8-17)21-14-36-26-25(21)27(33)31(20-5-3-2-4-6-20)28(30-26)37-15-24(32)29-19-11-12-22-23(13-19)35-16-34-22/h2-14H,15-16H2,1H3,(H,29,32)
InChIKey OPDKXIXYAXCAEA-UHFFFAOYSA-N
Mol Weight 527.61 g/mol
Molecular Formula C28H21N3O4S2
Exact Mass 527.097349 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Homtr0DXBeZ
Name acetamide, N-(1,3-benzodioxol-5-yl)-2-[[3,4-dihydro-5-(4-methylphenyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]thio]-
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/C28H21N3O4S2/c1-17-7-9-18(10-8-17)21-14-36-26-25(21)27(33)31(20-5-3-2-4-6-20)28(30-26)37-15-24(32)29-19-11-12-22-23(13-19)35-16-34-22/h2-14H,15-16H2,1H3,(H,29,32)
InChIKey OPDKXIXYAXCAEA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_282
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/11219983