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NHHKQCWSQIPXGK-UHFFFAOYSA-N
SpectraBase Compound ID 5NJX0gwibEp
InChI InChI=1S/C11H6BrN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey NHHKQCWSQIPXGK-UHFFFAOYSA-N
Mol Weight 308.15 g/mol
Molecular Formula C11H6BrN3OS
Exact Mass 306.941496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KNDuMi7wkL5
Name 6-(4-bromophenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
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/C11H6BrN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey NHHKQCWSQIPXGK-UHFFFAOYSA-N
NMR Offset 15.1188
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_852
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: ZI/5117869; Labnumber: 1/85; IOH_ID: IOH-000853
Temperature 313 °C