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(5Z)-5-(3-nitrobenzylidene)-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
SpectraBase Compound ID LJLYnpWwgYe
InChI InChI=1S/C21H24N6O3S/c1-14-18(15(2)24(3)23-14)13-25-7-9-26(10-8-25)21-22-20(28)19(31-21)12-16-5-4-6-17(11-16)27(29)30/h4-6,11-12H,7-10,13H2,1-3H3/b19-12-
InChIKey CYCOULDYSXEEQB-UNOMPAQXSA-N
Mol Weight 440.52 g/mol
Molecular Formula C21H24N6O3S
Exact Mass 440.16306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID itLDhUmFy
Name (5Z)-5-(3-nitrobenzylidene)-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
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/C21H24N6O3S/c1-14-18(15(2)24(3)23-14)13-25-7-9-26(10-8-25)21-22-20(28)19(31-21)12-16-5-4-6-17(11-16)27(29)30/h4-6,11-12H,7-10,13H2,1-3H3/b19-12-
InChIKey CYCOULDYSXEEQB-UNOMPAQXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33705
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: 1996393; SBI_ID: SBI-033709
Synonyms 5-(3-nitrobenzylidene)-2-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}-1,3-thiazol-4(5H)-one
Temperature 318 °C