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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID bSi6L05iF4
InChI InChI=1S/C22H21ClFN9O3/c1-32(2)11-17-19(27-31-33(17)21-20(25)29-36-30-21)22(34)28-26-10-13-6-3-4-9-18(13)35-12-14-15(23)7-5-8-16(14)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey XCXNTZIZKFTEGW-NSKAYECMSA-N
Mol Weight 513.92 g/mol
Molecular Formula C22H21ClFN9O3
Exact Mass 513.143991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Vb19cgOd1c
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
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/C22H21ClFN9O3/c1-32(2)11-17-19(27-31-33(17)21-20(25)29-36-30-21)22(34)28-26-10-13-6-3-4-9-18(13)35-12-14-15(23)7-5-8-16(14)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)/b26-10+
InChIKey XCXNTZIZKFTEGW-NSKAYECMSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23228
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: D37263; Labnumber: NIG1-2487; SBI_ID: SBI-023232
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Temperature 315 °C