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3-{4-[(5E)-5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
SpectraBase Compound ID 7qogkJUh2PV
InChI InChI=1S/C17H18N4OS/c18-7-4-8-20-9-11-21(12-10-20)17-19-16(22)15(23-17)13-14-5-2-1-3-6-14/h1-3,5-6,13H,4,8-12H2/b15-13+
InChIKey JZSCMVUIJWLLTO-FYWRMAATSA-N
Mol Weight 326.42 g/mol
Molecular Formula C17H18N4OS
Exact Mass 326.120132 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ACeSVnp0bdQ
Name 3-{4-[(5E)-5-benzylidene-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/C17H18N4OS/c18-7-4-8-20-9-11-21(12-10-20)17-19-16(22)15(23-17)13-14-5-2-1-3-6-14/h1-3,5-6,13H,4,8-12H2/b15-13+
InChIKey JZSCMVUIJWLLTO-FYWRMAATSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9839
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: 132058; Labnumber: EX00112627; VK_ID: VK-009843
Synonyms 3-{4-[5-benzylidene-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
Temperature 308 °C