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N-ethyl-N'-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}thiourea
SpectraBase Compound ID apV6m58xy3
InChI InChI=1S/C9H13F3N4OS/c1-2-13-8(18)15-7-3-14-16(4-7)6-17-5-9(10,11)12/h3-4H,2,5-6H2,1H3,(H2,13,15,18)
InChIKey PIKGLROQFVMYCJ-UHFFFAOYSA-N
Mol Weight 282.29 g/mol
Molecular Formula C9H13F3N4OS
Exact Mass 282.076217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ITYIrvPkk0a
Name N-ethyl-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/C9H13F3N4OS/c1-2-13-8(18)15-7-3-14-16(4-7)6-17-5-9(10,11)12/h3-4H,2,5-6H2,1H3,(H2,13,15,18)
InChIKey PIKGLROQFVMYCJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30082
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: 1642088; SBI_ID: SBI-030086
Temperature 306 °C