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

*Links on SpectraBase are not permalinks.

acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[2-hydroxy-3-(2-propenyl)phenyl]methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[2-hydroxy-3-(2-propenyl)phenyl]methylidene]hydrazide
SpectraBase Compound ID 4HGZwfdIE38
InChI InChI=1S/C26H22ClN5O2S/c1-2-7-18-8-6-9-20(24(18)34)16-28-29-23(33)17-35-26-31-30-25(19-12-14-21(27)15-13-19)32(26)22-10-4-3-5-11-22/h2-6,8-16,34H,1,7,17H2,(H,29,33)/b28-16-
InChIKey QLLDKSIBRXKALX-NTFVMDSBSA-N
Mol Weight 504.01 g/mol
Molecular Formula C26H22ClN5O2S
Exact Mass 503.118274 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 5E2QEduo0rp
Name Acetic acid, [[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(Z)-[2-hydroxy-3-(2-propenyl)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.118273840 u
Formula C26H22ClN5O2S
InChI InChI=1S/C26H22ClN5O2S/c1-2-7-18-8-6-9-20(24(18)34)16-28-29-23(33)17-35-26-31-30-25(19-12-14-21(27)15-13-19)32(26)22-10-4-3-5-11-22/h2-6,8-16,34H,1,7,17H2,(H,29,33)/b28-16-
InChIKey QLLDKSIBRXKALX-NTFVMDSBSA-N
Molecular Weight 504.008 g/mol
SMILES N(\N=C/C=1C(=C(C=CC1)CC=C)O)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)Cl)C=1C=CC=CC1)=O