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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[3-(trifluoromethyl)phenyl]thiourea
SpectraBase Compound ID GIY8DTQ8vrd
InChI InChI=1S/C19H17F3N4OS/c1-12-16(17(27)26(25(12)2)15-9-4-3-5-10-15)24-18(28)23-14-8-6-7-13(11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28)
InChIKey AKGYAFKOMDJQTA-UHFFFAOYSA-N
Mol Weight 406.43 g/mol
Molecular Formula C19H17F3N4OS
Exact Mass 406.107517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gzHDEnqYX4
Name N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[3-(trifluoromethyl)phenyl]thiourea
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.107516845 u
Formula C19H17F3N4OS
InChI InChI=1S/C19H17F3N4OS/c1-12-16(17(27)26(25(12)2)15-9-4-3-5-10-15)24-18(28)23-14-8-6-7-13(11-14)19(20,21)22/h3-11H,1-2H3,(H2,23,24,28)
InChIKey AKGYAFKOMDJQTA-UHFFFAOYSA-N
Molecular Weight 406.427 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5084
Solvent DMSO-d6
Source Vendor ID: NMR/12318306