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

*Links on SpectraBase are not permalinks.
benzoic acid, 2-[[[(5Z)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxothiazolidinyl]acetyl]amino]-
SpectraBase Compound ID Jbh0fNHqc5I
InChI InChI=1S/C19H13ClN2O4S2/c20-13-7-3-1-5-11(13)9-15-17(24)22(19(27)28-15)10-16(23)21-14-8-4-2-6-12(14)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)/b15-9-
InChIKey CCNVBJJFICRTIF-DHDCSXOGSA-N
Mol Weight 432.9 g/mol
Molecular Formula C19H13ClN2O4S2
Exact Mass 432.000527 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 6NzTabzs8Ep
Name Benzoic acid, 2-[[[(5Z)-5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxothiazolidinyl]acetyl]amino]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.000526951 u
Formula C19H13ClN2O4S2
InChI InChI=1S/C19H13ClN2O4S2/c20-13-7-3-1-5-11(13)9-15-17(24)22(19(27)28-15)10-16(23)21-14-8-4-2-6-12(14)18(25)26/h1-9H,10H2,(H,21,23)(H,25,26)/b15-9-
InChIKey CCNVBJJFICRTIF-DHDCSXOGSA-N
Molecular Weight 432.896 g/mol
SMILES N(C=1C(C(=O)O)=CC=CC1)C(CN1C(S\C(C1=O)=C\C1=C(Cl)C=CC=C1)=S)=O