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2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(4-fluorophenyl)-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID DhlenSlhiSq
InChI InChI=1S/C19H13F4N5O2S/c1-10-17(28(29)30)11(2)27(26-10)9-31-18-15(8-24)14(7-16(25-18)19(21,22)23)12-3-5-13(20)6-4-12/h3-7H,9H2,1-2H3
InChIKey DRAVGMUDLGHJFZ-UHFFFAOYSA-N
Mol Weight 451.4 g/mol
Molecular Formula C19H13F4N5O2S
Exact Mass 451.072609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FV1P4QBbHGh
Name 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(4-fluorophenyl)-6-(trifluoromethyl)nicotinonitrile
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/C19H13F4N5O2S/c1-10-17(28(29)30)11(2)27(26-10)9-31-18-15(8-24)14(7-16(25-18)19(21,22)23)12-3-5-13(20)6-4-12/h3-7H,9H2,1-2H3
InChIKey DRAVGMUDLGHJFZ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16610
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/1266927; Labnumber: OLG0977; UZI_ID: UZI-016614
Temperature 306 °C