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2-{[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-4,6-dimethylnicotinonitrile
SpectraBase Compound ID GcmX5B0v7BU
InChI InChI=1S/C18H14BrN3O2S/c1-10-7-11(2)21-17(14(10)9-20)25-15-8-16(23)22(18(15)24)13-5-3-12(19)4-6-13/h3-7,15H,8H2,1-2H3
InChIKey KBOGOKSZAXIWEJ-UHFFFAOYSA-N
Mol Weight 416.29 g/mol
Molecular Formula C18H14BrN3O2S
Exact Mass 414.999011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Wush7UxJsv
Name 2-{[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-4,6-dimethylnicotinonitrile
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/C18H14BrN3O2S/c1-10-7-11(2)21-17(14(10)9-20)25-15-8-16(23)22(18(15)24)13-5-3-12(19)4-6-13/h3-7,15H,8H2,1-2H3
InChIKey KBOGOKSZAXIWEJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4447
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/8325321; Labnumber: FNG-PTC0006; IOH_ID: IOH-004448
Temperature 303 °C