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5-[3-(2-Hydroxy-3-phenoxypropylamino)butyl]nicotinic acid methyl ester
SpectraBase Compound ID 9BVM5us9AbL
InChI InChI=1S/C20H26N2O4/c1-15(8-9-16-10-17(12-21-11-16)20(24)25-2)22-13-18(23)14-26-19-6-4-3-5-7-19/h3-7,10-12,15,18,22-23H,8-9,13-14H2,1-2H3
InChIKey DZTUYETWPNIMAZ-UHFFFAOYSA-N
Mol Weight 358.44 g/mol
Molecular Formula C20H26N2O4
Exact Mass 358.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBDyJKRRDGn
Name 5-[3-(2-Hydroxy-3-phenoxypropylamino)butyl]nicotinic acid methyl ester
Alternate Name(s) Methyl 5-{3-[(2-hydroxy-3-phenoxypropyl)amino]butyl}nicotinate
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Formula C20H26N2O4
InChI InChI=1S/C20H26N2O4/c1-15(8-9-16-10-17(12-21-11-16)20(24)25-2)22-13-18(23)14-26-19-6-4-3-5-7-19/h3-7,10-12,15,18,22-23H,8-9,13-14H2,1-2H3
InChIKey DZTUYETWPNIMAZ-UHFFFAOYSA-N
Molecular Weight 358.438 g/mol
SMILES N(C(CCc1cc(C(=O)OC)cnc1)C)CC(COc1ccccc1)O
SPLASH splash10-0a4i-4109000000-6328f4a886cfa404a658
Source of Spectrum QC-24-1382-6
Wiley ID 1584157