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N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide

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N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
SpectraBase Compound ID 4v9SLeQwN07
InChI InChI=1S/C17H19N9O3/c1-9(2)14-13(21-25-26(14)16-15(18)23-29-24-16)17(28)22-19-8-11-4-6-12(7-5-11)20-10(3)27/h4-9H,1-3H3,(H2,18,23)(H,20,27)(H,22,28)/b19-8+
InChIKey MHBNIFGBUSYBBB-UFWORHAWSA-N
Mol Weight 397.4 g/mol
Molecular Formula C17H19N9O3
Exact Mass 397.161086 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID UolwdJLcPv
Name N-{4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
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/C17H19N9O3/c1-9(2)14-13(21-25-26(14)16-15(18)23-29-24-16)17(28)22-19-8-11-4-6-12(7-5-11)20-10(3)27/h4-9H,1-3H3,(H2,18,23)(H,20,27)(H,22,28)/b19-8+
InChIKey MHBNIFGBUSYBBB-UFWORHAWSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23208
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: D37221; Labnumber: NIG1-2378; SBI_ID: SBI-023212
Synonyms N-{4-[(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-isopropyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]phenyl}acetamide
Temperature 315 °C