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1-piperazinecarbothioamide, N-[3-(dimethylamino)propyl]-4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-
SpectraBase Compound ID 59Dm4tvy6Su
InChI InChI=1S/C21H27FN8S/c1-27(2)11-3-10-23-21(31)29-14-12-28(13-15-29)19-9-8-18-24-25-20(30(18)26-19)16-4-6-17(22)7-5-16/h4-9H,3,10-15H2,1-2H3,(H,23,31)
InChIKey DNWXNIHBOLYJKU-UHFFFAOYSA-N
Mol Weight 442.56 g/mol
Molecular Formula C21H27FN8S
Exact Mass 442.206342 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8QSQRRhzwTL
Name 1-piperazinecarbothioamide, N-[3-(dimethylamino)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 442.206342238 u
Formula C21H27FN8S
InChI InChI=1S/C21H27FN8S/c1-27(2)11-3-10-23-21(31)29-14-12-28(13-15-29)19-9-8-18-24-25-20(30(18)26-19)16-4-6-17(22)7-5-16/h4-9H,3,10-15H2,1-2H3,(H,23,31)
InChIKey DNWXNIHBOLYJKU-UHFFFAOYSA-N
Molecular Weight 442.561 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2914
Solvent DMSO-d6
Source Vendor ID: NMR/12689580