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N-(3-chloro-4-methoxyphenyl)-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID KSsST27kYEl
InChI InChI=1S/C21H15Cl2N3O2S2/c1-28-17-7-6-14(8-16(17)23)26-18(27)10-30-21-19-15(9-29-20(19)24-11-25-21)12-2-4-13(22)5-3-12/h2-9,11H,10H2,1H3,(H,26,27)
InChIKey NSZOUEBAJKJHSI-UHFFFAOYSA-N
Mol Weight 476.4 g/mol
Molecular Formula C21H15Cl2N3O2S2
Exact Mass 474.998274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KmkXnkgKqMO
Name N-(3-chloro-4-methoxyphenyl)-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/C21H15Cl2N3O2S2/c1-28-17-7-6-14(8-16(17)23)26-18(27)10-30-21-19-15(9-29-20(19)24-11-25-21)12-2-4-13(22)5-3-12/h2-9,11H,10H2,1H3,(H,26,27)
InChIKey NSZOUEBAJKJHSI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12408
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: D74493; Labnumber: GRESKO-1998; SBI_ID: SBI-012411
Temperature 318 °C