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N'-((E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene)-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
SpectraBase Compound ID AX6Z8R9FO6s
InChI InChI=1S/C18H16BrN5O2/c19-16-7-5-14(6-8-16)11-26-17-4-2-1-3-15(17)9-21-23-18(25)10-24-13-20-12-22-24/h1-9,12-13H,10-11H2,(H,23,25)/b21-9+
InChIKey RPKMIIRLRLIDFK-ZVBGSRNCSA-N
Mol Weight 414.26 g/mol
Molecular Formula C18H16BrN5O2
Exact Mass 413.048738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3bxZWQMZhu3
Name N'-((E)-{2-[(4-bromobenzyl)oxy]phenyl}methylidene)-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.048737773 u
Formula C18H16BrN5O2
InChI InChI=1S/C18H16BrN5O2/c19-16-7-5-14(6-8-16)11-26-17-4-2-1-3-15(17)9-21-23-18(25)10-24-13-20-12-22-24/h1-9,12-13H,10-11H2,(H,23,25)/b21-9+
InChIKey RPKMIIRLRLIDFK-ZVBGSRNCSA-N
Molecular Weight 414.263 g/mol
SMILES N(\N=C\C=1C(OCC=2C=CC(=CC2)Br)=CC=CC1)C(CN1C=NC=N1)=O