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N-(3-chloro-4-fluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
SpectraBase Compound ID 5F64QE9Yw5x
InChI InChI=1S/C18H16ClFN4OS/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-15(20)14(19)10-12/h3-10H,1-2H3,(H2,21,22,26)
InChIKey XSFKGEYHEGSMIK-UHFFFAOYSA-N
Mol Weight 390.86 g/mol
Molecular Formula C18H16ClFN4OS
Exact Mass 390.071738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B2ie4GkVCWo
Name N-(3-chloro-4-fluorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)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 390.071738187 u
Formula C18H16ClFN4OS
InChI InChI=1S/C18H16ClFN4OS/c1-11-16(17(25)24(23(11)2)13-6-4-3-5-7-13)22-18(26)21-12-8-9-15(20)14(19)10-12/h3-10H,1-2H3,(H2,21,22,26)
InChIKey XSFKGEYHEGSMIK-UHFFFAOYSA-N
Molecular Weight 390.864 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4367
Solvent DMSO-d6
Source Vendor ID: NMR/12309216