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1-piperazinecarbothioamide, 4-[2-[[(E)-[1,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(2-propenyl)-
SpectraBase Compound ID 4HHx8jtfP0r
InChI InChI=1S/C21H27N7O3S/c1-3-8-23-21(32)26-13-11-25(12-14-26)10-9-22-15-19-16(2)24-27(20(19)29)17-4-6-18(7-5-17)28(30)31/h3-7,15,22H,1,8-14H2,2H3,(H,23,32)/b19-15+
InChIKey FUDYDJSCZXUGIO-XDJHFCHBSA-N
Mol Weight 457.55 g/mol
Molecular Formula C21H27N7O3S
Exact Mass 457.189609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DDqO5Nd9X6i
Name 1-piperazinecarbothioamide, 4-[2-[[(E)-[1,5-dihydro-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-N-(2-propenyl)-
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/C21H27N7O3S/c1-3-8-23-21(32)26-13-11-25(12-14-26)10-9-22-15-19-16(2)24-27(20(19)29)17-4-6-18(7-5-17)28(30)31/h3-7,15,22H,1,8-14H2,2H3,(H,23,32)/b19-15+
InChIKey FUDYDJSCZXUGIO-XDJHFCHBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1068
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/11228846