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

*Links on SpectraBase are not permalinks.

acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(phenylmethoxy)phenyl]methylidene]hydrazide

View entire compound with spectra: 2 NMR

acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(phenylmethoxy)phenyl]methylidene]hydrazide
SpectraBase Compound ID LWhKTQcf8Nk
InChI InChI=1S/C31H27N5O3S/c1-38-27-18-14-25(15-19-27)30-34-35-31(36(30)26-10-6-3-7-11-26)40-22-29(37)33-32-20-23-12-16-28(17-13-23)39-21-24-8-4-2-5-9-24/h2-20H,21-22H2,1H3,(H,33,37)/b32-20+
InChIKey SIJSBRXGXYUAFZ-UZWMFBFFSA-N
Mol Weight 549.65 g/mol
Molecular Formula C31H27N5O3S
Exact Mass 549.183461 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 2NvKbC6UFsr
Name Acetic acid, [[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(E)-[4-(phenylmethoxy)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.183460920 u
Formula C31H27N5O3S
InChI InChI=1S/C31H27N5O3S/c1-38-27-18-14-25(15-19-27)30-34-35-31(36(30)26-10-6-3-7-11-26)40-22-29(37)33-32-20-23-12-16-28(17-13-23)39-21-24-8-4-2-5-9-24/h2-20H,21-22H2,1H3,(H,33,37)/b32-20+
InChIKey SIJSBRXGXYUAFZ-UZWMFBFFSA-N
Molecular Weight 549.649 g/mol
SMILES N(\N=C\C=1C=CC(OCC=2C=CC=CC2)=CC1)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)OC)C=1C=CC=CC1)=O