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4-Nitro-4'-[[N-acetyl]carbethoxymethylamino]diphenyl sulfide

View entire compound with spectra: 1 NMR

4-Nitro-4'-[[N-acetyl]carbethoxymethylamino]diphenyl sulfide
SpectraBase Compound ID TecCOYJMtv
InChI InChI=1S/C18H18N2O5S/c1-3-25-18(22)12-19(13(2)21)14-4-8-16(9-5-14)26-17-10-6-15(7-11-17)20(23)24/h4-11H,3,12H2,1-2H3
InChIKey DPCHUTFNQCRBIL-UHFFFAOYSA-N
Mol Weight 374.41 g/mol
Molecular Formula C18H18N2O5S
Exact Mass 374.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69zAKGsBNrj
Name 4-Nitro-4'-[[N-acetyl]carbethoxymethylamino]diphenyl sulfide
Comments Computed using HOSE algorithm
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Exact Mass 374.093642857 u
Formula C18H18N2O5S
InChI InChI=1S/C18H18N2O5S/c1-3-25-18(22)12-19(13(2)21)14-4-8-16(9-5-14)26-17-10-6-15(7-11-17)20(23)24/h4-11H,3,12H2,1-2H3
InChIKey DPCHUTFNQCRBIL-UHFFFAOYSA-N
Molecular Weight 374.411 g/mol
SMILES C1=C(N(=O)=O)C=CC(=C1)SC1=CC=C(C=C1)N(C(=O)C)CC(OCC)=O