3-{4-[(5E)-5-(2-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile

SpectraBase Compound ID	42Q2LZSjN2r
InChI	InChI=1S/C21H26N4O2S/c1-2-3-15-27-18-8-5-4-7-17(18)16-19-20(26)23-21(28-19)25-13-11-24(12-14-25)10-6-9-22/h4-5,7-8,16H,2-3,6,10-15H2,1H3/b19-16+
InChIKey	UCNQZPOEEFCFQJ-KNTRCKAVSA-N Google Search
Mol Weight	398.53 g/mol
Molecular Formula	C21H26N4O2S
Exact Mass	398.177647 g/mol

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SpectraBase Spectrum ID	IT3GzRifltf
Name	3-{4-[(5E)-5-(2-butoxybenzylidene)-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/C21H26N4O2S/c1-2-3-15-27-18-8-5-4-7-17(18)16-19-20(26)23-21(28-19)25-13-11-24(12-14-25)10-6-9-22/h4-5,7-8,16H,2-3,6,10-15H2,1H3/b19-16+
InChIKey	UCNQZPOEEFCFQJ-KNTRCKAVSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5416
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: 121983; Labnumber: EX00112718; VK_ID: VK-005419
Synonyms	3-{4-[5-(2-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]-1-piperazinyl}propanenitrile
Temperature	308 °C