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(2R,3S)-2-(Allylamino)-3-(dibenzylamino)-5-methylhexyl acetate
SpectraBase Compound ID 5hZL3Oa22s1
InChI InChI=1S/C26H36N2O2/c1-5-16-27-25(20-30-22(4)29)26(17-21(2)3)28(18-23-12-8-6-9-13-23)19-24-14-10-7-11-15-24/h5-15,21,25-27H,1,16-20H2,2-4H3/t25-,26-/m0/s1
InChIKey WWTBIPYVQXIWQG-UIOOFZCWSA-N
Mol Weight 408.6 g/mol
Molecular Formula C26H36N2O2
Exact Mass 408.277678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2twWM1Led8I
Name (2R,3S)-2-(Allylamino)-3-(dibenzylamino)-5-methylhexyl acetate
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Formula C26H36N2O2
InChI InChI=1S/C26H36N2O2/c1-5-16-27-25(20-30-22(4)29)26(17-21(2)3)28(18-23-12-8-6-9-13-23)19-24-14-10-7-11-15-24/h5-15,21,25-27H,1,16-20H2,2-4H3/t25-,26-/m0/s1
InChIKey WWTBIPYVQXIWQG-UIOOFZCWSA-N
Molecular Weight 408.586 g/mol
SMILES N([C@]([C@@](N(Cc1ccccc1)Cc1ccccc1)(CC(C)C)[H])(COC(=O)C)[H])CC=C
SPLASH splash10-007a-0059000000-1d674d4ce4a8a0a69ee8
Source of Spectrum F-68-9246-6
Synonyms Acetic acid[(2R,3S)-2-(allylamino)-3-(dibenzylamino)-5-methyl-hexyl]ester Acetic acid[(2R,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-(prop-2-enylamino)hexyl]ester [(2R,3S)-3-(dibenzylamino)-5-methyl-2-(prop-2-enylamino)hexyl]acetate [(2R,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-(prop-2-enylamino)hexyl]ethanoate Acetic acid [(2R,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-(prop-2-enylamino)hexyl] ester [(2R,3S)-3-(dibenzylamino)-5-methyl-2-(prop-2-enylamino)hexyl] acetate [(2R,3S)-2-(allylamino)-3-(dibenzylamino)-5-methyl-hexyl] acetate [(2R,3S)-3-[bis(phenylmethyl)amino]-5-methyl-2-(prop-2-enylamino)hexyl] ethanoate
Wiley ID 1573678