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4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine
SpectraBase Compound ID 4d9OBSQ15vt
InChI InChI=1S/C10H8F3N5O2S/c1-6-2-8(10(11,12)13)16-9(15-6)21-5-17-4-7(3-14-17)18(19)20/h2-4H,5H2,1H3
InChIKey IXGDBKCCJWJOPQ-UHFFFAOYSA-N
Mol Weight 319.26 g/mol
Molecular Formula C10H8F3N5O2S
Exact Mass 319.03508 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1XPLWSMVgOF
Name 4-methyl-2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-6-(trifluoromethyl)pyrimidine
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/C10H8F3N5O2S/c1-6-2-8(10(11,12)13)16-9(15-6)21-5-17-4-7(3-14-17)18(19)20/h2-4H,5H2,1H3
InChIKey IXGDBKCCJWJOPQ-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UZI_26187_16572
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1264086; Labnumber: OLG0916; UZI_ID: UZI-016576
Synonyms 4-methyl-6-(trifluoromethyl)-2-pyrimidinyl (4-nitro-1H-pyrazol-1-yl)methyl sulfide
Temperature 318 °C