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

*Links on SpectraBase are not permalinks.
benzamide, 3-hydroxy-N-[(5E)-4-oxo-5-(6-quinoxalinylmethylene)-2-thioxothiazolidinyl]-
SpectraBase Compound ID 1khage7mg2W
InChI InChI=1S/C19H12N4O3S2/c24-13-3-1-2-12(10-13)17(25)22-23-18(26)16(28-19(23)27)9-11-4-5-14-15(8-11)21-7-6-20-14/h1-10,24H,(H,22,25)/b16-9+
InChIKey VHFDYQGIIDNXHR-CXUHLZMHSA-N
Mol Weight 408.45 g/mol
Molecular Formula C19H12N4O3S2
Exact Mass 408.035083 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 7vCUtCl2IoE
Name Benzamide, 3-hydroxy-N-[(5E)-4-oxo-5-(6-quinoxalinylmethylene)-2-thioxothiazolidinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.035082607 u
Formula C19H12N4O3S2
InChI InChI=1S/C19H12N4O3S2/c24-13-3-1-2-12(10-13)17(25)22-23-18(26)16(28-19(23)27)9-11-4-5-14-15(8-11)21-7-6-20-14/h1-10,24H,(H,22,25)/b16-9+
InChIKey VHFDYQGIIDNXHR-CXUHLZMHSA-N
Molecular Weight 408.450 g/mol
SMILES N(N1C(\C(=C/C=2C=C3N=CC=NC3=CC2)SC1=S)=O)C(C1=CC(=CC=C1)O)=O