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2-chloro-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methoxybenzoate
SpectraBase Compound ID 6zqJIOrLvHF
InChI InChI=1S/C18H12ClNO4S2/c1-23-12-5-3-11(4-6-12)17(22)24-14-7-2-10(8-13(14)19)9-15-16(21)20-18(25)26-15/h2-9H,1H3,(H,20,21,25)/b15-9-
InChIKey XTGMAIGBOYYJGM-DHDCSXOGSA-N
Mol Weight 405.87 g/mol
Molecular Formula C18H12ClNO4S2
Exact Mass 404.989628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36w71tVxgV3
Name 2-Chloro-4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.989627914 u
Formula C18H12ClNO4S2
InChI InChI=1S/C18H12ClNO4S2/c1-23-12-5-3-11(4-6-12)17(22)24-14-7-2-10(8-13(14)19)9-15-16(21)20-18(25)26-15/h2-9H,1H3,(H,20,21,25)/b15-9-
InChIKey XTGMAIGBOYYJGM-DHDCSXOGSA-N
Molecular Weight 405.870 g/mol
SMILES N1C(\C(SC1=S)=C\C=1C=C(Cl)C(OC(C2=CC=C(C=C2)OC)=O)=CC1)=O