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[4-bromo-2-((Z)-{(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
SpectraBase Compound ID BBL0vsoEx3T
InChI InChI=1S/C18H12BrClN2O4S/c19-11-1-6-14(26-9-16(23)24)10(7-11)8-15-17(25)22-18(27-15)21-13-4-2-12(20)3-5-13/h1-8H,9H2,(H,23,24)(H,21,22,25)/b15-8-
InChIKey PVKHQNBVLSPFMW-NVNXTCNLSA-N
Mol Weight 467.72 g/mol
Molecular Formula C18H12BrClN2O4S
Exact Mass 465.938969 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQTVbUGoUkd
Name [4-Bromo-2-((Z)-{(2Z)-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.938968744 u
Formula C18H12BrClN2O4S
InChI InChI=1S/C18H12BrClN2O4S/c19-11-1-6-14(26-9-16(23)24)10(7-11)8-15-17(25)22-18(27-15)21-13-4-2-12(20)3-5-13/h1-8H,9H2,(H,23,24)(H,21,22,25)/b15-8-
InChIKey PVKHQNBVLSPFMW-NVNXTCNLSA-N
Molecular Weight 467.721 g/mol
SMILES N1C(\C(=C\C2=C(OCC(=O)O)C=CC(=C2)Br)S\C1=N\C1=CC=C(Cl)C=C1)=O