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2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(2-furyl)-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID Ai5wayDJeq1
InChI InChI=1S/C17H12F3N5O3S/c1-9-15(25(26)27)10(2)24(23-9)8-29-16-12(7-21)11(13-4-3-5-28-13)6-14(22-16)17(18,19)20/h3-6H,8H2,1-2H3
InChIKey KWQSZCJGZJVGBV-UHFFFAOYSA-N
Mol Weight 423.37 g/mol
Molecular Formula C17H12F3N5O3S
Exact Mass 423.061295 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID qw0ogHfbhr
Name 2-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(2-furyl)-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/C17H12F3N5O3S/c1-9-15(25(26)27)10(2)24(23-9)8-29-16-12(7-21)11(13-4-3-5-28-13)6-14(22-16)17(18,19)20/h3-6H,8H2,1-2H3
InChIKey KWQSZCJGZJVGBV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16566
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/1266320; Labnumber: OLG0909; UZI_ID: UZI-016570
Temperature 308 °C