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(2E)-2-(1,3-benzothiazol-2-yl)-3-{3,5-dichloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-propenenitrile
SpectraBase Compound ID 4kMH4AJixJE
InChI InChI=1S/C23H13Cl3N2OS/c24-17-7-5-14(6-8-17)13-29-22-18(25)10-15(11-19(22)26)9-16(12-27)23-28-20-3-1-2-4-21(20)30-23/h1-11H,13H2/b16-9+
InChIKey KGXIJBKQKVFMBW-CXUHLZMHSA-N
Mol Weight 471.79 g/mol
Molecular Formula C23H13Cl3N2OS
Exact Mass 469.981417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJvuQD5XGkY
Name (2E)-2-(1,3-benzothiazol-2-yl)-3-{3,5-dichloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-propenenitrile
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/C23H13Cl3N2OS/c24-17-7-5-14(6-8-17)13-29-22-18(25)10-15(11-19(22)26)9-16(12-27)23-28-20-3-1-2-4-21(20)30-23/h1-11H,13H2/b16-9+
InChIKey KGXIJBKQKVFMBW-CXUHLZMHSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8225
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: UZI/1009214; UBI_ID: UBI-008228
Synonyms 2-(1,3-benzothiazol-2-yl)-3-{3,5-dichloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-propenenitrile
Temperature 308 °C