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methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID DJUDTPeClbu
InChI InChI=1S/C23H19N3O3S2/c1-14-3-5-15(6-4-14)18-11-30-21-20(18)22(25-13-24-21)31-12-19(27)26-17-9-7-16(8-10-17)23(28)29-2/h3-11,13H,12H2,1-2H3,(H,26,27)
InChIKey ZPQTWVFZMWXSCB-UHFFFAOYSA-N
Mol Weight 449.54 g/mol
Molecular Formula C23H19N3O3S2
Exact Mass 449.086784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5IsTnZnhjUQ
Name methyl 4-[({[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzoate
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/C23H19N3O3S2/c1-14-3-5-15(6-4-14)18-11-30-21-20(18)22(25-13-24-21)31-12-19(27)26-17-9-7-16(8-10-17)23(28)29-2/h3-11,13H,12H2,1-2H3,(H,26,27)
InChIKey ZPQTWVFZMWXSCB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12410
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: D74495; Labnumber: GRESKO-2001; SBI_ID: SBI-012413
Temperature 318 °C