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4-pyrimidinecarboxamide, 5-chloro-2-(methylsulfonyl)-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID BRDSrtOvsZd
InChI InChI=1S/C13H9ClF3N3O3S/c1-24(22,23)12-18-6-8(14)10(20-12)11(21)19-9-5-3-2-4-7(9)13(15,16)17/h2-6H,1H3,(H,19,21)
InChIKey IKKYIYUGRDLJNV-UHFFFAOYSA-N
Mol Weight 379.74 g/mol
Molecular Formula C13H9ClF3N3O3S
Exact Mass 379.000525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AaJwHwUW26u
Name 4-pyrimidinecarboxamide, 5-chloro-2-(methylsulfonyl)-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/C13H9ClF3N3O3S/c1-24(22,23)12-18-6-8(14)10(20-12)11(21)19-9-5-3-2-4-7(9)13(15,16)17/h2-6H,1H3,(H,19,21)
InChIKey IKKYIYUGRDLJNV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_1641
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: F12065; Labnumber: GOR-S1139-0179