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2-(1,3-benzoxazol-2-ylsulfanyl)-N'-((E)-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene)acetohydrazide
SpectraBase Compound ID LjreTR0Kxzp
InChI InChI=1S/C25H22ClN3O4S/c1-16-7-9-17(10-8-16)14-32-24-19(26)11-18(12-22(24)31-2)13-27-29-23(30)15-34-25-28-20-5-3-4-6-21(20)33-25/h3-13H,14-15H2,1-2H3,(H,29,30)/b27-13+
InChIKey YNYNLJYMBVBICX-UVHMKAGCSA-N
Mol Weight 495.98 g/mol
Molecular Formula C25H22ClN3O4S
Exact Mass 495.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BrtKWo4lRaD
Name 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-((E)-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene)acetohydrazide
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/C25H22ClN3O4S/c1-16-7-9-17(10-8-16)14-32-24-19(26)11-18(12-22(24)31-2)13-27-29-23(30)15-34-25-28-20-5-3-4-6-21(20)33-25/h3-13H,14-15H2,1-2H3,(H,29,30)/b27-13+
InChIKey YNYNLJYMBVBICX-UVHMKAGCSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9794
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: 1000109; UBI_ID: UBI-009797
Synonyms 2-(1,3-benzoxazol-2-ylsulfanyl)-N'-({3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene)acetohydrazide
Temperature 313 °C