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

*Links on SpectraBase are not permalinks.

acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylidene]hydrazide
SpectraBase Compound ID 6hT9r4C7nxy
InChI InChI=1S/C20H19I2N5O3S/c1-3-27-19(12-4-6-15(30-2)7-5-12)25-26-20(27)31-11-17(28)24-23-10-13-8-14(21)9-16(22)18(13)29/h4-10,29H,3,11H2,1-2H3,(H,24,28)/b23-10-
InChIKey KEHAUNGCXXEQQS-RMORIDSASA-N
Mol Weight 663.27 g/mol
Molecular Formula C20H19I2N5O3S
Exact Mass 662.929801 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 AE6mQ17zhnc
Name Acetic acid, [[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 662.929800663 u
Formula C20H19I2N5O3S
InChI InChI=1S/C20H19I2N5O3S/c1-3-27-19(12-4-6-15(30-2)7-5-12)25-26-20(27)31-11-17(28)24-23-10-13-8-14(21)9-16(22)18(13)29/h4-10,29H,3,11H2,1-2H3,(H,24,28)/b23-10-
InChIKey KEHAUNGCXXEQQS-RMORIDSASA-N
Molecular Weight 663.273 g/mol
SMILES N(\N=C/C=1C=C(C=C(C1O)I)I)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)OC)CC)=O