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5-[(R)-3-((S)-2-Hydroxy-3-phenoxy-propylamino)-butyl]-nicotinic acid methyl ester
SpectraBase Compound ID AycsFHfaGb9
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/t15-,18+/m1/s1
InChIKey DZTUYETWPNIMAZ-QAPCUYQASA-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 B9DB7fh06r7
Name 5-[(R)-3-((S)-2-Hydroxy-3-phenoxy-propylamino)-butyl]-nicotinic acid methyl ester
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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/t15-,18+/m1/s1
InChIKey DZTUYETWPNIMAZ-QAPCUYQASA-N
Molecular Weight 358.438 g/mol
SMILES N([C@@](CCc1cc(C(=O)OC)cnc1)(C)[H])C[C@@](COc1ccccc1)(O)[H]
SPLASH splash10-00di-0290000000-90820f49921c39d36434
Source of Spectrum QC-24-1382-6
Synonyms (S,S)-5-[3-(2-Hydroxy-3-phenoxypropylamino)butyl]nicotinic acid methyl ester Methyl 5-((3R)-3-{[(2S)-2-hydroxy-3-phenoxypropyl]amino}butyl)nicotinate
Wiley ID 1584156