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1-piperazinecarbothioamide, N-cyclohexyl-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-
SpectraBase Compound ID 6JVSzAogQo3
InChI InChI=1S/C22H26FN7S/c23-17-8-6-16(7-9-17)21-26-25-19-10-11-20(27-30(19)21)28-12-14-29(15-13-28)22(31)24-18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2,(H,24,31)
InChIKey ZCVYHEVIGMYIEG-UHFFFAOYSA-N
Mol Weight 439.56 g/mol
Molecular Formula C22H26FN7S
Exact Mass 439.195443 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LE5WWtWAwDC
Name 1-piperazinecarbothioamide, N-cyclohexyl-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 439.195443202 u
Formula C22H26FN7S
InChI InChI=1S/C22H26FN7S/c23-17-8-6-16(7-9-17)21-26-25-19-10-11-20(27-30(19)21)28-12-14-29(15-13-28)22(31)24-18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2,(H,24,31)
InChIKey ZCVYHEVIGMYIEG-UHFFFAOYSA-N
Molecular Weight 439.557 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2923
Solvent DMSO-d6
Source Vendor ID: NMR/12689590