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(2S)-1-[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]pyrrolidine-2-carboxylic acid methyl ester
SpectraBase Compound ID FZsPR2AN7xY
InChI InChI=1S/C26H36N2O3/c1-3-11-25(29)24(20-27-17-10-16-23(27)26(30)31-2)28(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-9,12-15,23-25,29H,3,10-11,16-20H2,1-2H3/t23-,24+,25-/m0/s1
InChIKey PUONKRMOEIDVJE-GVAUOCQISA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2O3
Exact Mass 424.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnKINJL5fR1
Name (2S)-1-[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]pyrrolidine-2-carboxylic acid methyl ester
Alternate Name(s) (2S)-1-[(2R,3S)-2-[bis(phenylmethyl)amino]-3-hydroxyhexyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl (2S)-1-[(2R,3S)-2-(dibenzylamino)-3-hydroxy-hexyl]pyrrolidine-2-carboxylate Methyl (2S)-1-[(2R,3S)-2-[bis(phenylmethyl)amino]-3-oxidanyl-hexyl]pyrrolidine-2-carboxylate
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Formula C26H36N2O3
InChI InChI=1S/C26H36N2O3/c1-3-11-25(29)24(20-27-17-10-16-23(27)26(30)31-2)28(18-21-12-6-4-7-13-21)19-22-14-8-5-9-15-22/h4-9,12-15,23-25,29H,3,10-11,16-20H2,1-2H3/t23-,24+,25-/m0/s1
InChIKey PUONKRMOEIDVJE-GVAUOCQISA-N
Molecular Weight 424.585 g/mol
SMILES O[C@]([C@](N(Cc1ccccc1)Cc1ccccc1)(CN1[C@](C(=O)OC)(CCC1)[H])[H])(CCC)[H]
SPLASH splash10-000x-7190000000-02108ef10532d695a14f
Source of Spectrum F-54-15739-14
Wiley ID 804327