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N-[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]-N'-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}thiourea
SpectraBase Compound ID Hv96H5rLKtk
InChI InChI=1S/C17H16ClF3N6OS/c18-13-3-1-2-12(4-13)7-26-8-14(5-22-26)24-16(29)25-15-6-23-27(9-15)11-28-10-17(19,20)21/h1-6,8-9H,7,10-11H2,(H2,24,25,29)
InChIKey UHNGBGGLNCMNNW-UHFFFAOYSA-N
Mol Weight 444.86 g/mol
Molecular Formula C17H16ClF3N6OS
Exact Mass 444.074693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BfFDohhcTK
Name N-[1-(3-chlorobenzyl)-1H-pyrazol-4-yl]-N'-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}thiourea
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/C17H16ClF3N6OS/c18-13-3-1-2-12(4-13)7-26-8-14(5-22-26)24-16(29)25-15-6-23-27(9-15)11-28-10-17(19,20)21/h1-6,8-9H,7,10-11H2,(H2,24,25,29)
InChIKey UHNGBGGLNCMNNW-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_30096
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: 1660622; SBI_ID: SBI-030100
Temperature 303 °C