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

*Links on SpectraBase are not permalinks.
acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-(2-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID Kpr3bVuCoRD
InChI InChI=1S/C19H18FN5OS/c1-2-25-18(14-8-4-3-5-9-14)23-24-19(25)27-13-17(26)22-21-12-15-10-6-7-11-16(15)20/h3-12H,2,13H2,1H3,(H,22,26)/b21-12+
InChIKey JBKMEMXRVWFUDT-CIAFOILYSA-N
Mol Weight 383.45 g/mol
Molecular Formula C19H18FN5OS
Exact Mass 383.12161 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 3F2diAOLjtA
Name Acetic acid, [(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(E)-(2-fluorophenyl)methylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.121609556 u
Formula C19H18FN5OS
InChI InChI=1S/C19H18FN5OS/c1-2-25-18(14-8-4-3-5-9-14)23-24-19(25)27-13-17(26)22-21-12-15-10-6-7-11-16(15)20/h3-12H,2,13H2,1H3,(H,22,26)/b21-12+
InChIKey JBKMEMXRVWFUDT-CIAFOILYSA-N
Molecular Weight 383.445 g/mol
SMILES N(\N=C\C=1C(F)=CC=CC1)C(CSC=1N(C(=NN1)C=1C=CC=CC1)CC)=O