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(2R,3S)-O1-Hexanoyl-3-dibenzylamino-5-methylhexane-1,2-diol
SpectraBase Compound ID 4mWNKqKScXr
InChI InChI=1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26-/m0/s1
InChIKey QZVFMGPBMKBFFB-UIOOFZCWSA-N
Mol Weight 425.6 g/mol
Molecular Formula C27H39NO3
Exact Mass 425.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxrQJ3h9h2Y
Name (2R,3S)-O1-Hexanoyl-3-dibenzylamino-5-methylhexane-1,2-diol
Alternate Name(s) Hexanoic acid[(2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl]ester Hexanoic acid[(2R,3S)-3-[bis(phenylmethyl)amino]-2-hydroxy-5-methylhexyl]ester [(2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl]hexanoate [(2R,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-oxidanyl-hexyl]hexanoate Hexanoic acid [(2R,3S)-3-[bis(phenylmethyl)amino]-2-hydroxy-5-methylhexyl] ester [(2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methylhexyl] hexanoate [(2R,3S)-3-(dibenzylamino)-2-hydroxy-5-methyl-hexyl] hexanoate [(2R,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-oxidanyl-hexyl] hexanoate
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Formula C27H39NO3
InChI InChI=1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26-/m0/s1
InChIKey QZVFMGPBMKBFFB-UIOOFZCWSA-N
Molecular Weight 425.613 g/mol
SMILES O[C@@](COC(CCCCC)=O)([C@](CC(C)C)(N(Cc1ccccc1)Cc1ccccc1)[H])[H]
SPLASH splash10-001r-0935000000-04ebe01f1ca0341512c3
Source of Spectrum F-70-10352-8
Wiley ID 1597996