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3-[4-[(5E)-5-(4-chlorobenzylidene)-4-keto-2-thiazolin-2-yl]piperazino]propionitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[4-[(5E)-5-(4-chlorobenzylidene)-4-keto-2-thiazolin-2-yl]piperazino]propionitrile
SpectraBase Compound ID ET2QT2c2wcF
InChI InChI=1S/C17H17ClN4OS/c18-14-4-2-13(3-5-14)12-15-16(23)20-17(24-15)22-10-8-21(9-11-22)7-1-6-19/h2-5,12H,1,7-11H2/b15-12+
InChIKey RZJQWLAJGQIBJC-NTCAYCPXSA-N
Mol Weight 360.86 g/mol
Molecular Formula C17H17ClN4OS
Exact Mass 360.08116 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1IKVftAURW
Name 1-piperazinepropanenitrile, 4-[(5E)-5-[(4-chlorophenyl)methylene]-4,5-dihydro-4-oxothiazolyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.081160056 u
Formula C17H17ClN4OS
InChI InChI=1S/C17H17ClN4OS/c18-14-4-2-13(3-5-14)12-15-16(23)20-17(24-15)22-10-8-21(9-11-22)7-1-6-19/h2-5,12H,1,7-11H2/b15-12+
InChIKey RZJQWLAJGQIBJC-NTCAYCPXSA-N
Molecular Weight 360.863 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13461
Solvent DMSO-d6
Source Vendor ID: NMR/10301653; Lab Info: MIZ; Lab Number: MIZ-V005488