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1-piperazinecarbothioamide, 4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(2-phenylethyl)-

View entire compound with spectra: 1 NMR

1-piperazinecarbothioamide, 4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(2-phenylethyl)-
SpectraBase Compound ID Kgsh9yxPcYN
InChI InChI=1S/C28H35FN6OS/c1-2-6-26-25(27(36)35(32-26)24-11-9-23(29)10-12-24)21-30-15-16-33-17-19-34(20-18-33)28(37)31-14-13-22-7-4-3-5-8-22/h3-5,7-12,21,30H,2,6,13-20H2,1H3,(H,31,37)/b25-21+
InChIKey NTRQYFJNBKDTPV-NJNXFGOHSA-N
Mol Weight 522.7 g/mol
Molecular Formula C28H35FN6OS
Exact Mass 522.257709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GabHbcd0oJq
Name 1-piperazinecarbothioamide, 4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(2-phenylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.257709107 u
Formula C28H35FN6OS
InChI InChI=1S/C28H35FN6OS/c1-2-6-26-25(27(36)35(32-26)24-11-9-23(29)10-12-24)21-30-15-16-33-17-19-34(20-18-33)28(37)31-14-13-22-7-4-3-5-8-22/h3-5,7-12,21,30H,2,6,13-20H2,1H3,(H,31,37)/b25-21+
InChIKey NTRQYFJNBKDTPV-NJNXFGOHSA-N
Molecular Weight 522.687 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14547
Solvent DMSO-d6
Source Vendor ID: NMR/11220381; Lab Info: PRE; Lab Number: PRE-s000068