4-[(E)-(2-[4-(3-methylphenyl)-1-piperazinyl]-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate

SpectraBase Compound ID	1npb0sqeOpT
InChI	InChI=1S/C27H25N3O4S2/c1-20-6-5-7-22(18-20)29-14-16-30(17-15-29)27-28-26(31)25(35-27)19-21-10-12-23(13-11-21)34-36(32,33)24-8-3-2-4-9-24/h2-13,18-19H,14-17H2,1H3/b25-19+
InChIKey	DPLVDEWFRIFGNN-NCELDCMTSA-N Google Search
Mol Weight	519.63 g/mol
Molecular Formula	C27H25N3O4S2
Exact Mass	519.128649 g/mol

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SpectraBase Spectrum ID	I15q6A7AlZm
Name	4-[(E)-(2-[4-(3-methylphenyl)-1-piperazinyl]-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
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/C27H25N3O4S2/c1-20-6-5-7-22(18-20)29-14-16-30(17-15-29)27-28-26(31)25(35-27)19-21-10-12-23(13-11-21)34-36(32,33)24-8-3-2-4-9-24/h2-13,18-19H,14-17H2,1H3/b25-19+
InChIKey	DPLVDEWFRIFGNN-NCELDCMTSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9855
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: 132074; Labnumber: EX00112767; VK_ID: VK-009859
Synonyms	4-[(2-[4-(3-methylphenyl)-1-piperazinyl]-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
Temperature	308 °C