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ethyl 2-({2-methoxy-5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzyl}oxy)benzoate
SpectraBase Compound ID 8IrunSSPFAA
InChI InChI=1S/C20H20N4O4/c1-3-27-20(25)17-6-4-5-7-19(17)28-12-16-10-15(8-9-18(16)26-2)11-23-24-13-21-22-14-24/h4-11,13-14H,3,12H2,1-2H3/b23-11+
InChIKey VFAFKAOASBHHSV-FOKLQQMPSA-N
Mol Weight 380.4 g/mol
Molecular Formula C20H20N4O4
Exact Mass 380.148455 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3AUKhtFvRQr
Name ethyl 2-({2-methoxy-5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzyl}oxy)benzoate
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/C20H20N4O4/c1-3-27-20(25)17-6-4-5-7-19(17)28-12-16-10-15(8-9-18(16)26-2)11-23-24-13-21-22-14-24/h4-11,13-14H,3,12H2,1-2H3/b23-11+
InChIKey VFAFKAOASBHHSV-FOKLQQMPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16057
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: D09860; Labnumber: KHAN-0023; SBI_ID: SBI-016060
Synonyms ethyl 2-({2-methoxy-5-[(4H-1,2,4-triazol-4-ylimino)methyl]benzyl}oxy)benzoate
Temperature 318 °C