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N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 7sN31rAq5SE
InChI InChI=1S/C20H12Cl2FN3OS2/c21-12-3-1-11(2-4-12)14-8-28-19-18(14)20(25-10-24-19)29-9-17(27)26-13-5-6-16(23)15(22)7-13/h1-8,10H,9H2,(H,26,27)
InChIKey ZQIXAJSRMPKKDC-UHFFFAOYSA-N
Mol Weight 464.36 g/mol
Molecular Formula C20H12Cl2FN3OS2
Exact Mass 462.978288 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6a0TIdEYnmJ
Name N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
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/C20H12Cl2FN3OS2/c21-12-3-1-11(2-4-12)14-8-28-19-18(14)20(25-10-24-19)29-9-17(27)26-13-5-6-16(23)15(22)7-13/h1-8,10H,9H2,(H,26,27)
InChIKey ZQIXAJSRMPKKDC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12418
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: D74511; Labnumber: GRESKO-2030; SBI_ID: SBI-012421
Temperature 318 °C