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1-piperazinecarbothioamide, 4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(1-methylethyl)-
SpectraBase Compound ID 41y5Zn4nQF7
InChI InChI=1S/C19H22FN7S/c1-13(2)21-19(28)26-11-9-25(10-12-26)17-8-7-16-22-23-18(27(16)24-17)14-3-5-15(20)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,21,28)
InChIKey JPGOQBBFVMNNMQ-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C19H22FN7S
Exact Mass 399.164143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OKLCyLX6V2
Name 1-piperazinecarbothioamide, 4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(1-methylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.164143073 u
Formula C19H22FN7S
InChI InChI=1S/C19H22FN7S/c1-13(2)21-19(28)26-11-9-25(10-12-26)17-8-7-16-22-23-18(27(16)24-17)14-3-5-15(20)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,21,28)
InChIKey JPGOQBBFVMNNMQ-UHFFFAOYSA-N
Molecular Weight 399.492 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2919
Solvent DMSO-d6
Source Vendor ID: NMR/12689585