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4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate
SpectraBase Compound ID L4VwmxTobpu
InChI InChI=1S/C18H13FN2O4S/c1-24-14-7-10(8-15-16(22)21-18(20)26-15)5-6-13(14)25-17(23)11-3-2-4-12(19)9-11/h2-9H,1H3,(H2,20,21,22)/b15-8-
InChIKey DHMZIYCNULUINB-NVNXTCNLSA-N
Mol Weight 372.37 g/mol
Molecular Formula C18H13FN2O4S
Exact Mass 372.058006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KtOWJF6t12
Name 4-[(Z)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 3-fluorobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.058006240 u
Formula C18H13FN2O4S
InChI InChI=1S/C18H13FN2O4S/c1-24-14-7-10(8-15-16(22)21-18(20)26-15)5-6-13(14)25-17(23)11-3-2-4-12(19)9-11/h2-9H,1H3,(H2,20,21,22)/b15-8-
InChIKey DHMZIYCNULUINB-NVNXTCNLSA-N
Molecular Weight 372.370 g/mol
SMILES N1C(\C(SC1=N)=C\C1=CC(OC)=C(OC(C=2C=C(F)C=CC2)=O)C=C1)=O