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6-(difluoromethyl)-4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}nicotinonitrile
SpectraBase Compound ID 8y8ykGtY2qL
InChI InChI=1S/C12H9F2N5O2S/c1-7-2-10(11(13)14)17-12(9(7)3-15)22-6-18-5-8(4-16-18)19(20)21/h2,4-5,11H,6H2,1H3
InChIKey BRTHHHNLXSYZON-UHFFFAOYSA-N
Mol Weight 325.29 g/mol
Molecular Formula C12H9F2N5O2S
Exact Mass 325.044502 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AgU33wCJjUc
Name 6-(difluoromethyl)-4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}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/C12H9F2N5O2S/c1-7-2-10(11(13)14)17-12(9(7)3-15)22-6-18-5-8(4-16-18)19(20)21/h2,4-5,11H,6H2,1H3
InChIKey BRTHHHNLXSYZON-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16571
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/1264061; Labnumber: OLG0915; UZI_ID: UZI-016575
Temperature 318 °C