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4-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methoxybenzenesulfonate
SpectraBase Compound ID Da6e8rMeh9Q
InChI InChI=1S/C17H14N2O5S2/c1-23-12-6-8-14(9-7-12)26(21,22)24-13-4-2-11(3-5-13)10-15-16(20)19-17(18)25-15/h2-10H,1H3,(H2,18,19,20)/b15-10-
InChIKey VJGDXSTYPSGQMH-GDNBJRDFSA-N
Mol Weight 390.43 g/mol
Molecular Formula C17H14N2O5S2
Exact Mass 390.034414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMuWscWbBa6
Name 4-[(Z)-(2-Imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methoxybenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 390.034413902 u
Formula C17H14N2O5S2
InChI InChI=1S/C17H14N2O5S2/c1-23-12-6-8-14(9-7-12)26(21,22)24-13-4-2-11(3-5-13)10-15-16(20)19-17(18)25-15/h2-10H,1H3,(H2,18,19,20)/b15-10-
InChIKey VJGDXSTYPSGQMH-GDNBJRDFSA-N
Molecular Weight 390.428 g/mol
SMILES N1C(S\C(=C/C2=CC=C(OS(C3=CC=C(C=C3)OC)(=O)=O)C=C2)C1=O)=N