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N-(2-{[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID BoDQd4BzWv7
InChI InChI=1S/C16H19F3N6O3S/c1-15(2,3)10-7-11(16(17,18)19)22-14(21-10)29-6-5-20-13(26)12-9(25(27)28)8-24(4)23-12/h7-8H,5-6H2,1-4H3,(H,20,26)
InChIKey VLGVRWSFZRBVEL-UHFFFAOYSA-N
Mol Weight 432.42 g/mol
Molecular Formula C16H19F3N6O3S
Exact Mass 432.119144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CYaxXIO8dIC
Name N-(2-{[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-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/C16H19F3N6O3S/c1-15(2,3)10-7-11(16(17,18)19)22-14(21-10)29-6-5-20-13(26)12-9(25(27)28)8-24(4)23-12/h7-8H,5-6H2,1-4H3,(H,20,26)
InChIKey VLGVRWSFZRBVEL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6516
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: UZI/1008670; UBI_ID: UBI-006518
Temperature 308 °C