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benzoic acid, 4-[[[4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-piperazinyl]carbonothioyl]amino]-, ethyl ester

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benzoic acid, 4-[[[4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-piperazinyl]carbonothioyl]amino]-, ethyl ester
SpectraBase Compound ID L40v22pIx19
InChI InChI=1S/C25H24FN7O2S/c1-2-35-24(34)18-5-9-20(10-6-18)27-25(36)32-15-13-31(14-16-32)22-12-11-21-28-29-23(33(21)30-22)17-3-7-19(26)8-4-17/h3-12H,2,13-16H2,1H3,(H,27,36)
InChIKey GKACQGMWPCTCHI-UHFFFAOYSA-N
Mol Weight 505.57 g/mol
Molecular Formula C25H24FN7O2S
Exact Mass 505.169622 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DqLRwCZhrgU
Name benzoic acid, 4-[[[4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-piperazinyl]carbonothioyl]amino]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.169622376 u
Formula C25H24FN7O2S
InChI InChI=1S/C25H24FN7O2S/c1-2-35-24(34)18-5-9-20(10-6-18)27-25(36)32-15-13-31(14-16-32)22-12-11-21-28-29-23(33(21)30-22)17-3-7-19(26)8-4-17/h3-12H,2,13-16H2,1H3,(H,27,36)
InChIKey GKACQGMWPCTCHI-UHFFFAOYSA-N
Molecular Weight 505.572 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2920
Solvent DMSO-d6
Source Vendor ID: NMR/12689586