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4-methoxybenzaldehyde [(2Z)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]hydrazone
SpectraBase Compound ID JyPiVux5UBH
InChI InChI=1S/C17H15N3O2S/c1-22-15-9-7-13(8-10-15)11-18-19-17-20(16(21)12-23-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3/b18-11+,19-17-
InChIKey CABSQKJOBJMCHQ-ONMBGNKZSA-N
Mol Weight 325.39 g/mol
Molecular Formula C17H15N3O2S
Exact Mass 325.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4puGp8P5guy
Name 4-Methoxybenzaldehyde [(2Z)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 325.088497907 u
Formula C17H15N3O2S
InChI InChI=1S/C17H15N3O2S/c1-22-15-9-7-13(8-10-15)11-18-19-17-20(16(21)12-23-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3/b18-11+,19-17-
InChIKey CABSQKJOBJMCHQ-ONMBGNKZSA-N
Molecular Weight 325.386 g/mol
SMILES C=1C=CC(N2\C(SCC2=O)=N\N=C\C2=CC=C(C=C2)OC)=CC1