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

*Links on SpectraBase are not permalinks.
3-thiazolidinepropanamide, N-(3-hydroxyphenyl)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5Z)-
SpectraBase Compound ID 3Brgmc2miQ9
InChI InChI=1S/C22H22N2O6S2/c1-28-16-9-13(10-17(29-2)20(16)30-3)11-18-21(27)24(22(31)32-18)8-7-19(26)23-14-5-4-6-15(25)12-14/h4-6,9-12,25H,7-8H2,1-3H3,(H,23,26)/b18-11-
InChIKey YRLNIQLYMVFDDB-WQRHYEAKSA-N
Mol Weight 474.55 g/mol
Molecular Formula C22H22N2O6S2
Exact Mass 474.091929 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 3rTJrSkwkKT
Name 3-Thiazolidinepropanamide, N-(3-hydroxyphenyl)-4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene]-, (5Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.091928778 u
Formula C22H22N2O6S2
InChI InChI=1S/C22H22N2O6S2/c1-28-16-9-13(10-17(29-2)20(16)30-3)11-18-21(27)24(22(31)32-18)8-7-19(26)23-14-5-4-6-15(25)12-14/h4-6,9-12,25H,7-8H2,1-3H3,(H,23,26)/b18-11-
InChIKey YRLNIQLYMVFDDB-WQRHYEAKSA-N
Molecular Weight 474.546 g/mol
SMILES N(C(CCN1C(S\C(C1=O)=C\C=1C=C(OC)C(=C(C1)OC)OC)=S)=O)C=1C=C(C=CC1)O