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2-[(Z)-(2-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
SpectraBase Compound ID JzmomeTbbg6
InChI InChI=1S/C26H22N4O6S2/c31-25-24(18-19-6-4-5-9-23(19)36-38(34,35)22-7-2-1-3-8-22)37-26(27-25)29-16-14-28(15-17-29)20-10-12-21(13-11-20)30(32)33/h1-13,18H,14-17H2/b24-18-
InChIKey KSQCZKMQRMHEFQ-MOHJPFBDSA-N
Mol Weight 550.6 g/mol
Molecular Formula C26H22N4O6S2
Exact Mass 550.098077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 95gk4qeXzZW
Name 2-[(Z)-(2-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
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/C26H22N4O6S2/c31-25-24(18-19-6-4-5-9-23(19)36-38(34,35)22-7-2-1-3-8-22)37-26(27-25)29-16-14-28(15-17-29)20-10-12-21(13-11-20)30(32)33/h1-13,18H,14-17H2/b24-18-
InChIKey KSQCZKMQRMHEFQ-MOHJPFBDSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22389
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: D59687; Labnumber: VLMK0089; SBI_ID: SBI-022393
Synonyms 2-[(2-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
Temperature 315 °C