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2-Imino-3-(4-methoxy-phenyl)-5-(2-nitro-benzylidene)-thiazolidin-4-one

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-Imino-3-(4-methoxy-phenyl)-5-(2-nitro-benzylidene)-thiazolidin-4-one
SpectraBase Compound ID JkHEfWsNEcP
InChI InChI=1S/C17H13N3O4S/c1-24-13-8-6-12(7-9-13)19-16(21)15(25-17(19)18)10-11-4-2-3-5-14(11)20(22)23/h2-10,18H,1H3/b15-10+,18-17?
InChIKey MPDGJFXRVIQTKR-ZIDZLSMNSA-N
Mol Weight 355.37 g/mol
Molecular Formula C17H13N3O4S
Exact Mass 355.062677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G03kpc3Vn8G
Name 2-Imino-3-(4-methoxy-phenyl)-5-(2-nitro-benzylidene)-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.062677081 u
Formula C17H13N3O4S
InChI InChI=1S/C17H13N3O4S/c1-24-13-8-6-12(7-9-13)19-16(21)15(25-17(19)18)10-11-4-2-3-5-14(11)20(22)23/h2-10,18H,1H3/b15-10+,18-17?
InChIKey MPDGJFXRVIQTKR-ZIDZLSMNSA-N
Molecular Weight 355.368 g/mol
SMILES C1=CC=C(C(=C1)N(=O)=O)\C=C/1SC(N(C1=O)C1=CC=C(OC)C=C1)=N