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1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide
SpectraBase Compound ID 1J1vYXPtcJV
InChI InChI=1S/C22H20ClFN8O3/c1-12(2)19-18(27-31-32(19)21-20(25)29-35-30-21)22(33)28-26-10-13-6-3-4-9-17(13)34-11-14-15(23)7-5-8-16(14)24/h3-10,12H,11H2,1-2H3,(H2,25,29)(H,28,33)/b26-10+
InChIKey WRMFVKMZPAQCCB-NSKAYECMSA-N
Mol Weight 498.91 g/mol
Molecular Formula C22H20ClFN8O3
Exact Mass 498.133092 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bgpq1vyrh37
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-isopropyl-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/C22H20ClFN8O3/c1-12(2)19-18(27-31-32(19)21-20(25)29-35-30-21)22(33)28-26-10-13-6-3-4-9-17(13)34-11-14-15(23)7-5-8-16(14)24/h3-10,12H,11H2,1-2H3,(H2,25,29)(H,28,33)/b26-10+
InChIKey WRMFVKMZPAQCCB-NSKAYECMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23166
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: D37156; Labnumber: NIG1-2191; SBI_ID: SBI-023170
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-({2-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methylidene)-5-isopropyl-1H-1,2,3-triazole-4-carbohydrazide
Temperature 313 °C