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

*Links on SpectraBase are not permalinks.
2-methoxy-6-((E)-{[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID E5cTMoFIXhA
InChI InChI=1S/C17H16N4O2S/c1-11-5-3-6-12(9-11)16-19-20-17(24)21(16)18-10-13-7-4-8-14(23-2)15(13)22/h3-10,22H,1-2H3,(H,20,24)/b18-10+
InChIKey LRRKEPFQVURGTK-VCHYOVAHSA-N
Mol Weight 340.4 g/mol
Molecular Formula C17H16N4O2S
Exact Mass 340.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 1tCjBKLzi59
Name 2-Methoxy-6-((E)-{[3-(3-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.099396943 u
Formula C17H16N4O2S
InChI InChI=1S/C17H16N4O2S/c1-11-5-3-6-12(9-11)16-19-20-17(24)21(16)18-10-13-7-4-8-14(23-2)15(13)22/h3-10,22H,1-2H3,(H,20,24)/b18-10+
InChIKey LRRKEPFQVURGTK-VCHYOVAHSA-N
SMILES SC1=NN=C(N1\N=C\C=1C(=C(C=CC1)OC)O)C1=CC(C)=CC=C1