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2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
SpectraBase Compound ID LYsYukIiVKb
InChI InChI=1S/C22H18ClN3OS2/c1-13-3-8-17(9-14(13)2)26-19(27)11-29-22-20-18(10-28-21(20)24-12-25-22)15-4-6-16(23)7-5-15/h3-10,12H,11H2,1-2H3,(H,26,27)
InChIKey SGFMQMRFEKJUKV-UHFFFAOYSA-N
Mol Weight 439.98 g/mol
Molecular Formula C22H18ClN3OS2
Exact Mass 439.057982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GDbMJg1pssP
Name 2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethylphenyl)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/C22H18ClN3OS2/c1-13-3-8-17(9-14(13)2)26-19(27)11-29-22-20-18(10-28-21(20)24-12-25-22)15-4-6-16(23)7-5-15/h3-10,12H,11H2,1-2H3,(H,26,27)
InChIKey SGFMQMRFEKJUKV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12432
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: D74539; Labnumber: GRESKO-2060; SBI_ID: SBI-012435
Temperature 318 °C