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1-piperazinecarbothioamide, N-[3-(diethylamino)propyl]-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-
SpectraBase Compound ID 1ivh05U4pQI
InChI InChI=1S/C23H31FN8S/c1-3-29(4-2)13-5-12-25-23(33)31-16-14-30(15-17-31)21-11-10-20-26-27-22(32(20)28-21)18-6-8-19(24)9-7-18/h6-11H,3-5,12-17H2,1-2H3,(H,25,33)
InChIKey SNRGZCJWBZHZQH-UHFFFAOYSA-N
Mol Weight 470.62 g/mol
Molecular Formula C23H31FN8S
Exact Mass 470.237642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9PoUa5bJEgC
Name 1-piperazinecarbothioamide, N-[3-(diethylamino)propyl]-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 470.237642367 u
Formula C23H31FN8S
InChI InChI=1S/C23H31FN8S/c1-3-29(4-2)13-5-12-25-23(33)31-16-14-30(15-17-31)21-11-10-20-26-27-22(32(20)28-21)18-6-8-19(24)9-7-18/h6-11H,3-5,12-17H2,1-2H3,(H,25,33)
InChIKey SNRGZCJWBZHZQH-UHFFFAOYSA-N
Molecular Weight 470.615 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2917
Solvent DMSO-d6
Source Vendor ID: NMR/12689583