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4-Chloranyl-N-[3-[(4-nitrophenyl)amino]propyl]benzamide

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

4-Chloranyl-N-[3-[(4-nitrophenyl)amino]propyl]benzamide
SpectraBase Compound ID 2XyMQtPFRaa
InChI InChI=1S/C16H16ClN3O3/c17-13-4-2-12(3-5-13)16(21)19-11-1-10-18-14-6-8-15(9-7-14)20(22)23/h2-9,18H,1,10-11H2,(H,19,21)
InChIKey HVTCZWKKMMDPGJ-UHFFFAOYSA-N
Mol Weight 333.78 g/mol
Molecular Formula C16H16ClN3O3
Exact Mass 333.088019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gjeamyEib2
Name 4-Chloranyl-N-[3-[(4-nitrophenyl)amino]propyl]benzamide
Comments Computed using HOSE algorithm
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Exact Mass 333.088019084 u
Formula C16H16ClN3O3
InChI InChI=1S/C16H16ClN3O3/c17-13-4-2-12(3-5-13)16(21)19-11-1-10-18-14-6-8-15(9-7-14)20(22)23/h2-9,18H,1,10-11H2,(H,19,21)
InChIKey HVTCZWKKMMDPGJ-UHFFFAOYSA-N
Molecular Weight 333.775 g/mol
SMILES C(CCNC(C1=CC=C(C=C1)Cl)=O)NC1=CC=C(N(=O)=O)C=C1