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1-piperazinecarbothioamide, 4-[2-[[(1E)-1-[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]ethyl]amino]ethyl]-N-ethyl-

View entire compound with spectra: 1 NMR

1-piperazinecarbothioamide, 4-[2-[[(1E)-1-[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]ethyl]amino]ethyl]-N-ethyl-
SpectraBase Compound ID Hl5gABvy8th
InChI InChI=1S/C22H26F3N7OS2/c1-3-26-20(34)31-12-10-30(11-13-31)9-8-27-14(2)17-18(22(23,24)25)29-32(19(17)33)21-28-15-6-4-5-7-16(15)35-21/h4-7,27H,3,8-13H2,1-2H3,(H,26,34)/b17-14+
InChIKey UESIZWAYAGMYSW-SAPNQHFASA-N
Mol Weight 525.61 g/mol
Molecular Formula C22H26F3N7OS2
Exact Mass 525.159235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID bX6Y8mqDeR
Name 1-piperazinecarbothioamide, 4-[2-[[(1E)-1-[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]ethyl]amino]ethyl]-N-ethyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H26F3N7OS2/c1-3-26-20(34)31-12-10-30(11-13-31)9-8-27-14(2)17-18(22(23,24)25)29-32(19(17)33)21-28-15-6-4-5-7-16(15)35-21/h4-7,27H,3,8-13H2,1-2H3,(H,26,34)/b17-14+
InChIKey UESIZWAYAGMYSW-SAPNQHFASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_196
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11249933