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4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
SpectraBase Compound ID ICKGNLx83pL
InChI InChI=1S/C18H14N2O3S/c1-11-2-6-13(7-3-11)17(22)23-14-8-4-12(5-9-14)10-15-16(21)20-18(19)24-15/h2-10H,1H3,(H2,19,20,21)/b15-10+
InChIKey CGVPFPYDAGDBOS-XNTDXEJSSA-N
Mol Weight 338.38 g/mol
Molecular Formula C18H14N2O3S
Exact Mass 338.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63W0Xg7C9b6
Name 4-[(E)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzoate
Comments Computed using HOSE algorithm
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Exact Mass 338.072513490 u
Formula C18H14N2O3S
InChI InChI=1S/C18H14N2O3S/c1-11-2-6-13(7-3-11)17(22)23-14-8-4-12(5-9-14)10-15-16(21)20-18(19)24-15/h2-10H,1H3,(H2,19,20,21)/b15-10+
InChIKey CGVPFPYDAGDBOS-XNTDXEJSSA-N
Molecular Weight 338.381 g/mol
SMILES N1C(\C(SC1=N)=C/C1=CC=C(OC(C2=CC=C(C=C2)C)=O)C=C1)=O