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

*Links on SpectraBase are not permalinks.
2-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
SpectraBase Compound ID FgIMcOpJBtd
InChI InChI=1S/C18H13NO3S2/c1-11-6-8-12(9-7-11)17(21)22-14-5-3-2-4-13(14)10-15-16(20)19-18(23)24-15/h2-10H,1H3,(H,19,20,23)/b15-10-
InChIKey GWRKUNVTQPWWHG-GDNBJRDFSA-N
Mol Weight 355.43 g/mol
Molecular Formula C18H13NO3S2
Exact Mass 355.033686 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 2ESrgXXIrjt
Name 2-[(Z)-(4-oxo-2-Thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.033685628 u
Formula C18H13NO3S2
InChI InChI=1S/C18H13NO3S2/c1-11-6-8-12(9-7-11)17(21)22-14-5-3-2-4-13(14)10-15-16(20)19-18(23)24-15/h2-10H,1H3,(H,19,20,23)/b15-10-
InChIKey GWRKUNVTQPWWHG-GDNBJRDFSA-N
Molecular Weight 355.426 g/mol
SMILES N1C(\C(SC1=S)=C\C=1C(OC(C=2C=CC(=CC2)C)=O)=CC=CC1)=O