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2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID 9zLkRtXN8IT
InChI InChI=1S/C23H20ClN3OS2/c1-13-8-14(2)21(15(3)9-13)27-19(28)11-30-23-20-18(10-29-22(20)25-12-26-23)16-4-6-17(24)7-5-16/h4-10,12H,11H2,1-3H3,(H,27,28)
InChIKey LQXPISRBKPZWJP-UHFFFAOYSA-N
Mol Weight 454.01 g/mol
Molecular Formula C23H20ClN3OS2
Exact Mass 453.073632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IqnGNbuAMi3
Name 2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide
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/C23H20ClN3OS2/c1-13-8-14(2)21(15(3)9-13)27-19(28)11-30-23-20-18(10-29-22(20)25-12-26-23)16-4-6-17(24)7-5-16/h4-10,12H,11H2,1-3H3,(H,27,28)
InChIKey LQXPISRBKPZWJP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12430
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: D74535; Labnumber: GRESKO-2055; SBI_ID: SBI-012433
Temperature 318 °C