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1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-
SpectraBase Compound ID LvEY4Gac8gx
InChI InChI=1S/C22H18ClF2N7S/c23-17-13-16(5-6-18(17)25)26-22(33)31-11-9-30(10-12-31)20-8-7-19-27-28-21(32(19)29-20)14-1-3-15(24)4-2-14/h1-8,13H,9-12H2,(H,26,33)
InChIKey IFPXGZQARSWDAM-UHFFFAOYSA-N
Mol Weight 485.94 g/mol
Molecular Formula C22H18ClF2N7S
Exact Mass 485.100099 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JeRoRRAJx3C
Name 1-piperazinecarbothioamide, N-(3-chloro-4-fluorophenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.100098808 u
Formula C22H18ClF2N7S
InChI InChI=1S/C22H18ClF2N7S/c23-17-13-16(5-6-18(17)25)26-22(33)31-11-9-30(10-12-31)20-8-7-19-27-28-21(32(19)29-20)14-1-3-15(24)4-2-14/h1-8,13H,9-12H2,(H,26,33)
InChIKey IFPXGZQARSWDAM-UHFFFAOYSA-N
Molecular Weight 485.945 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2913
Solvent DMSO-d6
Source Vendor ID: NMR/12689579