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

View entire compound with spectra: 1 NMR

acetic acid, [[[4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-piperazinyl]carbonothioyl]amino]-, ethyl ester
SpectraBase Compound ID EjkWXkzsCJL
InChI InChI=1S/C20H22FN7O2S/c1-2-30-18(29)13-22-20(31)27-11-9-26(10-12-27)17-8-7-16-23-24-19(28(16)25-17)14-3-5-15(21)6-4-14/h3-8H,2,9-13H2,1H3,(H,22,31)
InChIKey VXQKLKJFVYBQPB-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C20H22FN7O2S
Exact Mass 443.153972 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2O46bCQv58u
Name acetic acid, [[[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 443.153972311 u
Formula C20H22FN7O2S
InChI InChI=1S/C20H22FN7O2S/c1-2-30-18(29)13-22-20(31)27-11-9-26(10-12-27)17-8-7-16-23-24-19(28(16)25-17)14-3-5-15(21)6-4-14/h3-8H,2,9-13H2,1H3,(H,22,31)
InChIKey VXQKLKJFVYBQPB-UHFFFAOYSA-N
Molecular Weight 443.501 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2916
Solvent DMSO-d6
Source Vendor ID: NMR/12689582