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4-[(E)-(2-(4-benzyl-1-piperazinyl)-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
SpectraBase Compound ID 6HXvpaiOVRU
InChI InChI=1S/C27H25N3O4S2/c31-26-25(19-21-11-13-23(14-12-21)34-36(32,33)24-9-5-2-6-10-24)35-27(28-26)30-17-15-29(16-18-30)20-22-7-3-1-4-8-22/h1-14,19H,15-18,20H2/b25-19+
InChIKey KDTRLOYYBSGZHG-NCELDCMTSA-N
Mol Weight 519.63 g/mol
Molecular Formula C27H25N3O4S2
Exact Mass 519.128649 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AIttOCB5GjU
Name 4-[(E)-(2-(4-benzyl-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/c31-26-25(19-21-11-13-23(14-12-21)34-36(32,33)24-9-5-2-6-10-24)35-27(28-26)30-17-15-29(16-18-30)20-22-7-3-1-4-8-22/h1-14,19H,15-18,20H2/b25-19+
InChIKey KDTRLOYYBSGZHG-NCELDCMTSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20696
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: D16902; Labnumber: EX00112769; SBI_ID: SBI-020700
Synonyms 4-[(2-(4-benzyl-1-piperazinyl)-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]phenyl benzenesulfonate
Temperature 315 °C