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7-(difluoromethyl)-5-methyl-N-[4-(2-toluidinosulfonyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID EsYkOB3zq7b
InChI InChI=1S/C21H18F2N6O3S/c1-12-5-3-4-6-16(12)28-33(31,32)15-9-7-14(8-10-15)25-20(30)19-26-21-24-13(2)11-17(18(22)23)29(21)27-19/h3-11,18,28H,1-2H3,(H,25,30)
InChIKey AKGYCNPWHIBYNJ-UHFFFAOYSA-N
Mol Weight 472.47 g/mol
Molecular Formula C21H18F2N6O3S
Exact Mass 472.112916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 697WgKiOzEe
Name 7-(difluoromethyl)-5-methyl-N-[4-(2-toluidinosulfonyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
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/C21H18F2N6O3S/c1-12-5-3-4-6-16(12)28-33(31,32)15-9-7-14(8-10-15)25-20(30)19-26-21-24-13(2)11-17(18(22)23)29(21)27-19/h3-11,18,28H,1-2H3,(H,25,30)
InChIKey AKGYCNPWHIBYNJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1673
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: 9312049; UBI_ID: UBI-001674
Temperature 313 °C