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acetamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-2-(4H-1,2,4-triazol-3-ylthio)-
SpectraBase Compound ID 1DcYaZ1sPkD
InChI InChI=1S/C16H17N7O3S2/c1-10-7-11(2)20-15(19-10)23-28(25,26)13-5-3-12(4-6-13)21-14(24)8-27-16-17-9-18-22-16/h3-7,9H,8H2,1-2H3,(H,21,24)(H,17,18,22)(H,19,20,23)
InChIKey DKNCXSNWEAZAQL-UHFFFAOYSA-N
Mol Weight 419.48 g/mol
Molecular Formula C16H17N7O3S2
Exact Mass 419.08343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLHtRMjcJhV
Name acetamide, N-[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-2-(4H-1,2,4-triazol-3-ylthio)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.083429780 u
Formula C16H17N7O3S2
InChI InChI=1S/C16H17N7O3S2/c1-10-7-11(2)20-15(19-10)23-28(25,26)13-5-3-12(4-6-13)21-14(24)8-27-16-17-9-18-22-16/h3-7,9H,8H2,1-2H3,(H,21,24)(H,17,18,22)(H,19,20,23)
InChIKey DKNCXSNWEAZAQL-UHFFFAOYSA-N
Molecular Weight 419.478 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4541
Solvent DMSO-d6
Source Vendor ID: NMR/9296397; Lab Info: NKS; Lab Number: NKS-aca0073