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N-[3,5-bis(trifluoromethyl)phenyl]-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID AdrgATeJyfL
InChI InChI=1S/C22H12ClF6N3OS2/c23-14-3-1-11(2-4-14)16-8-34-19-18(16)20(31-10-30-19)35-9-17(33)32-15-6-12(21(24,25)26)5-13(7-15)22(27,28)29/h1-8,10H,9H2,(H,32,33)
InChIKey BQYVKUDZCWRVLO-UHFFFAOYSA-N
Mol Weight 547.92 g/mol
Molecular Formula C22H12ClF6N3OS2
Exact Mass 547.001451 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KnrHieV7qGI
Name N-[3,5-bis(trifluoromethyl)phenyl]-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/C22H12ClF6N3OS2/c23-14-3-1-11(2-4-14)16-8-34-19-18(16)20(31-10-30-19)35-9-17(33)32-15-6-12(21(24,25)26)5-13(7-15)22(27,28)29/h1-8,10H,9H2,(H,32,33)
InChIKey BQYVKUDZCWRVLO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12417
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: D74510; Labnumber: GRESKO-2029; SBI_ID: SBI-012420
Temperature 318 °C