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acetamide, 2-[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]-

View entire compound with spectra: 1 NMR

acetamide, 2-[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID HOkZfZOqcAd
InChI InChI=1S/C21H15BrF3N3O2S2/c22-12-5-7-13(8-6-12)28-19(30)18-16(9-10-31-18)27-20(28)32-11-17(29)26-15-4-2-1-3-14(15)21(23,24)25/h1-8H,9-11H2,(H,26,29)
InChIKey BQGTWMHDXQFCAF-UHFFFAOYSA-N
Mol Weight 542.39 g/mol
Molecular Formula C21H15BrF3N3O2S2
Exact Mass 540.974117 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KV0jRR5vfEj
Name acetamide, 2-[[3-(4-bromophenyl)-3,4,6,7-tetrahydro-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
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/C21H15BrF3N3O2S2/c22-12-5-7-13(8-6-12)28-19(30)18-16(9-10-31-18)27-20(28)32-11-17(29)26-15-4-2-1-3-14(15)21(23,24)25/h1-8H,9-11H2,(H,26,29)
InChIKey BQGTWMHDXQFCAF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_5426
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: NMR/10257070; Labnumber: F0513-0122