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1-piperazinecarbothioamide, N-(2-chloro-4-methylphenyl)-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-
SpectraBase Compound ID Fml5xACWdAt
InChI InChI=1S/C23H21ClFN7S/c1-15-2-7-19(18(24)14-15)26-23(33)31-12-10-30(11-13-31)21-9-8-20-27-28-22(32(20)29-21)16-3-5-17(25)6-4-16/h2-9,14H,10-13H2,1H3,(H,26,33)
InChIKey NGSHICPVQRHCBN-UHFFFAOYSA-N
Mol Weight 481.98 g/mol
Molecular Formula C23H21ClFN7S
Exact Mass 481.125171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8wn8B9FLU4F
Name 1-piperazinecarbothioamide, N-(2-chloro-4-methylphenyl)-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 481.125170741 u
Formula C23H21ClFN7S
InChI InChI=1S/C23H21ClFN7S/c1-15-2-7-19(18(24)14-15)26-23(33)31-12-10-30(11-13-31)21-9-8-20-27-28-22(32(20)29-21)16-3-5-17(25)6-4-16/h2-9,14H,10-13H2,1H3,(H,26,33)
InChIKey NGSHICPVQRHCBN-UHFFFAOYSA-N
Molecular Weight 481.981 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2915
Solvent DMSO-d6
Source Vendor ID: NMR/12689581