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3-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-chlorobenzoate
SpectraBase Compound ID H4nfklcNuoo
InChI InChI=1S/C17H10ClNO3S2/c18-12-6-4-11(5-7-12)16(21)22-13-3-1-2-10(8-13)9-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-9-
InChIKey SIBSORUJMQOYGQ-ZROIWOOFSA-N
Mol Weight 375.84 g/mol
Molecular Formula C17H10ClNO3S2
Exact Mass 374.979063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkeZQVi7MVU
Name 3-[(Z)-(4-oxo-2-Thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-chlorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 374.979063231 u
Formula C17H10ClNO3S2
InChI InChI=1S/C17H10ClNO3S2/c18-12-6-4-11(5-7-12)16(21)22-13-3-1-2-10(8-13)9-14-15(20)19-17(23)24-14/h1-9H,(H,19,20,23)/b14-9-
InChIKey SIBSORUJMQOYGQ-ZROIWOOFSA-N
Molecular Weight 375.844 g/mol
SMILES N1C(\C(SC1=S)=C\C=1C=C(OC(C=2C=CC(=CC2)Cl)=O)C=CC1)=O