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

View entire compound with spectra: 1 NMR

benzoic acid, 2-[[[4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-piperazinyl]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID 33Sajj4eRtc
InChI InChI=1S/C24H22FN7O2S/c1-34-23(33)18-4-2-3-5-19(18)26-24(35)31-14-12-30(13-15-31)21-11-10-20-27-28-22(32(20)29-21)16-6-8-17(25)9-7-16/h2-11H,12-15H2,1H3,(H,26,35)
InChIKey VOWAELMAFDEEHW-UHFFFAOYSA-N
Mol Weight 491.55 g/mol
Molecular Formula C24H22FN7O2S
Exact Mass 491.153972 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1TawfKVtNOm
Name benzoic acid, 2-[[[4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-piperazinyl]carbonothioyl]amino]-, methyl 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 491.153972311 u
Formula C24H22FN7O2S
InChI InChI=1S/C24H22FN7O2S/c1-34-23(33)18-4-2-3-5-19(18)26-24(35)31-14-12-30(13-15-31)21-11-10-20-27-28-22(32(20)29-21)16-6-8-17(25)9-7-16/h2-11H,12-15H2,1H3,(H,26,35)
InChIKey VOWAELMAFDEEHW-UHFFFAOYSA-N
Molecular Weight 491.545 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2918
Solvent DMSO-d6
Source Vendor ID: NMR/12689584