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2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide
SpectraBase Compound ID hBZy7sn9yu
InChI InChI=1S/C21H14Br2ClN3OS2/c1-11-6-15(22)19(16(23)7-11)27-17(28)9-30-21-18-14(8-29-20(18)25-10-26-21)12-2-4-13(24)5-3-12/h2-8,10H,9H2,1H3,(H,27,28)
InChIKey XGOQRZLMZYZXTG-UHFFFAOYSA-N
Mol Weight 583.74 g/mol
Molecular Formula C21H14Br2ClN3OS2
Exact Mass 580.863358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 12qUwCiIMKk
Name 2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)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/C21H14Br2ClN3OS2/c1-11-6-15(22)19(16(23)7-11)27-17(28)9-30-21-18-14(8-29-20(18)25-10-26-21)12-2-4-13(24)5-3-12/h2-8,10H,9H2,1H3,(H,27,28)
InChIKey XGOQRZLMZYZXTG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12426
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: D74529; Labnumber: GRESKO-2049; SBI_ID: SBI-012429
Temperature 318 °C