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(2S)-2,6-bis(dibenzylamino)hexanoic acid benzyl ester
SpectraBase Compound ID 3B1CVrbqn99
InChI InChI=1S/C41H44N2O2/c44-41(45-34-39-26-14-5-15-27-39)40(43(32-37-22-10-3-11-23-37)33-38-24-12-4-13-25-38)28-16-17-29-42(30-35-18-6-1-7-19-35)31-36-20-8-2-9-21-36/h1-15,18-27,40H,16-17,28-34H2/t40-/m0/s1
InChIKey ZEJJSZVZDWCFDW-FAIXQHPJSA-N
Mol Weight 596.8 g/mol
Molecular Formula C41H44N2O2
Exact Mass 596.340279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3NoBnP3iaG
Name (2S)-2,6-bis(dibenzylamino)hexanoic acid benzyl ester
Alternate Name(s) (2S)-2,6-bis[bis(phenylmethyl)amino]hexanoic acid (phenylmethyl) ester (phenylmethyl) (2S)-2,6-bis[bis(phenylmethyl)amino]hexanoate benzyl (2S)-2,6-bis(dibenzylamino)hexanoate
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Formula C41H44N2O2
InChI InChI=1S/C41H44N2O2/c44-41(45-34-39-26-14-5-15-27-39)40(43(32-37-22-10-3-11-23-37)33-38-24-12-4-13-25-38)28-16-17-29-42(30-35-18-6-1-7-19-35)31-36-20-8-2-9-21-36/h1-15,18-27,40H,16-17,28-34H2/t40-/m0/s1
InChIKey ZEJJSZVZDWCFDW-FAIXQHPJSA-N
Molecular Weight 596.815 g/mol
SMILES [C@](N(Cc1ccccc1)Cc1ccccc1)(C(OCc1ccccc1)=O)(CCCCN(Cc1ccccc1)Cc1ccccc1)[H]
SPLASH splash10-06r6-9021750000-7389765d4c3ebdf9303c
Source of Spectrum F-68-615-26
Wiley ID 1571581