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2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide

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2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
SpectraBase Compound ID 8YWgAuUepnV
InChI InChI=1S/C18H20F3N7OS/c1-4-28-9-13(11(2)26-28)14-5-15(18(19,20)21)25-17(24-14)30-10-16(29)22-6-12-7-23-27(3)8-12/h5,7-9H,4,6,10H2,1-3H3,(H,22,29)
InChIKey SKPULUKOYNALDW-UHFFFAOYSA-N
Mol Weight 439.46 g/mol
Molecular Formula C18H20F3N7OS
Exact Mass 439.140214 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 57cOSyKXmWD
Name 2-{[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
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/C18H20F3N7OS/c1-4-28-9-13(11(2)26-28)14-5-15(18(19,20)21)25-17(24-14)30-10-16(29)22-6-12-7-23-27(3)8-12/h5,7-9H,4,6,10H2,1-3H3,(H,22,29)
InChIKey SKPULUKOYNALDW-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32504
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: 1847847; SBI_ID: SBI-032508
Temperature 315 °C