For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-((E)-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID 92zpXMPZT4r
InChI InChI=1S/C18H17ClN4O2/c1-2-24-18-9-14(10-22-23-12-20-21-13-23)7-8-17(18)25-11-15-5-3-4-6-16(15)19/h3-10,12-13H,2,11H2,1H3/b22-10+
InChIKey KMTQGYINHWEEBR-LSHDLFTRSA-N
Mol Weight 356.81 g/mol
Molecular Formula C18H17ClN4O2
Exact Mass 356.104004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3HS6LKHGsTy
Name N-((E)-{4-[(2-Chlorobenzyl)oxy]-3-ethoxyphenyl}methylidene)-4H-1,2,4-triazol-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.104003501 u
Formula C18H17ClN4O2
InChI InChI=1S/C18H17ClN4O2/c1-2-24-18-9-14(10-22-23-12-20-21-13-23)7-8-17(18)25-11-15-5-3-4-6-16(15)19/h3-10,12-13H,2,11H2,1H3/b22-10+
InChIKey KMTQGYINHWEEBR-LSHDLFTRSA-N
Molecular Weight 356.813 g/mol
SMILES C=1C=CC(COC2=CC=C(C=C2OCC)\C=N\N2C=NN=C2)=C(Cl)C1