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N-((E)-2-[4-(dimethylamino)phenyl]-1-{[(3-methoxypropyl)amino]carbonyl}ethenyl)benzamide
SpectraBase Compound ID 9QrwNM6dUdX
InChI InChI=1S/C22H27N3O3/c1-25(2)19-12-10-17(11-13-19)16-20(22(27)23-14-7-15-28-3)24-21(26)18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,23,27)(H,24,26)/b20-16+
InChIKey LITDBOGQWUOWOF-CAPFRKAQSA-N
Mol Weight 381.48 g/mol
Molecular Formula C22H27N3O3
Exact Mass 381.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MNPudoSNL4
Name N-((E)-2-[4-(Dimethylamino)phenyl]-1-{[(3-methoxypropyl)amino]carbonyl}ethenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 381.205241738 u
Formula C22H27N3O3
InChI InChI=1S/C22H27N3O3/c1-25(2)19-12-10-17(11-13-19)16-20(22(27)23-14-7-15-28-3)24-21(26)18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,23,27)(H,24,26)/b20-16+
InChIKey LITDBOGQWUOWOF-CAPFRKAQSA-N
Molecular Weight 381.476 g/mol
SMILES N(\C(C(=O)NCCCOC)=C\C=1C=CC(=CC1)N(C)C)C(=O)C1=CC=CC=C1