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1-piperazinecarbothioamide, N-[4-(aminosulfonyl)phenyl]-4-[2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-piperazinecarbothioamide, N-[4-(aminosulfonyl)phenyl]-4-[2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-
SpectraBase Compound ID DSwBTZ8YpqK
InChI InChI=1S/C26H32FN7O3S2/c1-2-3-24-23(25(35)34(31-24)21-8-4-19(27)5-9-21)18-29-12-13-32-14-16-33(17-15-32)26(38)30-20-6-10-22(11-7-20)39(28,36)37/h4-11,18,29H,2-3,12-17H2,1H3,(H,30,38)(H2,28,36,37)/b23-18-
InChIKey ADSVAPJSHCYCTI-NKFKGCMQSA-N
Mol Weight 573.7 g/mol
Molecular Formula C26H32FN7O3S2
Exact Mass 573.199208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JSJvgZmoPP0
Name 1-piperazinecarbothioamide, N-[4-(aminosulfonyl)phenyl]-4-[2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 573.199208426 u
Formula C26H32FN7O3S2
InChI InChI=1S/C26H32FN7O3S2/c1-2-3-24-23(25(35)34(31-24)21-8-4-19(27)5-9-21)18-29-12-13-32-14-16-33(17-15-32)26(38)30-20-6-10-22(11-7-20)39(28,36)37/h4-11,18,29H,2-3,12-17H2,1H3,(H,30,38)(H2,28,36,37)/b23-18-
InChIKey ADSVAPJSHCYCTI-NKFKGCMQSA-N
Molecular Weight 573.706 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15960
Solvent DMSO-d6
Source Vendor ID: NMR/11230060; Lab Info: PRE; Lab Number: PRE-s000136