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(2Z)-2-acetyl-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1,3-benzothiazol-2-yl)-2-butenohydrazide
SpectraBase Compound ID 67jC5vWTagh
InChI InChI=1S/C25H27N5O4S/c1-16(23(17(2)31)24(32)30(26)25-27-19-5-3-4-6-22(19)35-25)29-11-9-28(10-12-29)14-18-7-8-20-21(13-18)34-15-33-20/h3-8,13H,9-12,14-15,26H2,1-2H3/b23-16-
InChIKey LRENESWCOIKUJC-KQWNVCNZSA-N
Mol Weight 493.58 g/mol
Molecular Formula C25H27N5O4S
Exact Mass 493.178376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LsxjXmxF7iH
Name (2Z)-2-acetyl-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1,3-benzothiazol-2-yl)-2-butenohydrazide
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/C25H27N5O4S/c1-16(23(17(2)31)24(32)30(26)25-27-19-5-3-4-6-22(19)35-25)29-11-9-28(10-12-29)14-18-7-8-20-21(13-18)34-15-33-20/h3-8,13H,9-12,14-15,26H2,1-2H3/b23-16-
InChIKey LRENESWCOIKUJC-KQWNVCNZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18057
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: D31663; Labnumber: VGU-0022094; SBI_ID: SBI-018060
Synonyms 2-acetyl-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(1,3-benzothiazol-2-yl)-2-butenohydrazide
Temperature 318 °C