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1-piperazinecarbothioamide, 4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(phenylmethyl)-
SpectraBase Compound ID CEH9P5B3jyQ
InChI InChI=1S/C23H22FN7S/c24-19-8-6-18(7-9-19)22-27-26-20-10-11-21(28-31(20)22)29-12-14-30(15-13-29)23(32)25-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,25,32)
InChIKey ZBZGJVWKARKKJI-UHFFFAOYSA-N
Mol Weight 447.54 g/mol
Molecular Formula C23H22FN7S
Exact Mass 447.164143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID PYdjsGnaRc
Name 1-piperazinecarbothioamide, 4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.164143073 u
Formula C23H22FN7S
InChI InChI=1S/C23H22FN7S/c24-19-8-6-18(7-9-19)22-27-26-20-10-11-21(28-31(20)22)29-12-14-30(15-13-29)23(32)25-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,25,32)
InChIKey ZBZGJVWKARKKJI-UHFFFAOYSA-N
Molecular Weight 447.536 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2921
Solvent DMSO-d6
Source Vendor ID: NMR/12689588