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2,6-dimethoxy-4-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenyl acetate

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2,6-dimethoxy-4-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenyl acetate
SpectraBase Compound ID E2W29Q6kdX9
InChI InChI=1S/C20H20N4O5S/c1-12(25)29-18-16(27-3)8-13(9-17(18)28-4)11-21-24-19(22-23-20(24)30)14-6-5-7-15(10-14)26-2/h5-11H,1-4H3,(H,23,30)/b21-11+
InChIKey AZFVIQOMQJBTGX-SRZZPIQSSA-N
Mol Weight 428.46 g/mol
Molecular Formula C20H20N4O5S
Exact Mass 428.115441 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3HTxAtrNnSq
Name 2,6-dimethoxy-4-((E)-{[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenyl acetate
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/C20H20N4O5S/c1-12(25)29-18-16(27-3)8-13(9-17(18)28-4)11-21-24-19(22-23-20(24)30)14-6-5-7-15(10-14)26-2/h5-11H,1-4H3,(H,23,30)/b21-11+
InChIKey AZFVIQOMQJBTGX-SRZZPIQSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5467
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: D25228; Labnumber: GRES-03279; SBI_ID: SBI-005469
Synonyms 2,6-dimethoxy-4-({[3-(3-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenyl acetate
Temperature 318 °C