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3-{4-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
SpectraBase Compound ID DS678qDCfCy
InChI InChI=1S/C17H17N5O4S/c18-4-1-5-20-6-8-21(9-7-20)17-19-16(24)15(27-17)11-12-2-3-14(23)13(10-12)22(25)26/h2-3,10-11,23H,1,5-9H2/b15-11+
InChIKey ORBBTLDLIQZVFS-RVDMUPIBSA-N
Mol Weight 387.41 g/mol
Molecular Formula C17H17N5O4S
Exact Mass 387.100125 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HwCvAhM20aG
Name 3-{4-[(5E)-5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
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/C17H17N5O4S/c18-4-1-5-20-6-8-21(9-7-20)17-19-16(24)15(27-17)11-12-2-3-14(23)13(10-12)22(25)26/h2-3,10-11,23H,1,5-9H2/b15-11+
InChIKey ORBBTLDLIQZVFS-RVDMUPIBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20698
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: D16904; Labnumber: EX00112861; SBI_ID: SBI-020702
Synonyms 3-{4-[5-(4-hydroxy-3-nitrobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
Temperature 315 °C