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methyl 1-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
SpectraBase Compound ID IH8aP9s1oFo
InChI InChI=1S/C12H11F3N4O2S/c1-7-5-9(12(13,14)15)17-11(16-7)22-6-19-4-3-8(18-19)10(20)21-2/h3-5H,6H2,1-2H3
InChIKey LKWKDAZUBQRQOQ-UHFFFAOYSA-N
Mol Weight 332.3 g/mol
Molecular Formula C12H11F3N4O2S
Exact Mass 332.055481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JvdbSOlxlPH
Name methyl 1-({[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
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/C12H11F3N4O2S/c1-7-5-9(12(13,14)15)17-11(16-7)22-6-19-4-3-8(18-19)10(20)21-2/h3-5H,6H2,1-2H3
InChIKey LKWKDAZUBQRQOQ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16632
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/1269282; Labnumber: OLG1066; UZI_ID: UZI-016636
Temperature 308 °C