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2-(dibenzylamino)acetic acid 4-[benzyl(chlorocarbonyl)amino]butyl ester
SpectraBase Compound ID K91MRhSKZPC
InChI InChI=1S/C28H31ClN2O3/c29-28(33)31(22-26-16-8-3-9-17-26)18-10-11-19-34-27(32)23-30(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-9,12-17H,10-11,18-23H2
InChIKey IJHWSBQXUUPVNB-UHFFFAOYSA-N
Mol Weight 479.02 g/mol
Molecular Formula C28H31ClN2O3
Exact Mass 478.202321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECTkOH3QVqy
Name 2-(dibenzylamino)acetic acid 4-[benzyl(chlorocarbonyl)amino]butyl ester
Alternate Name(s) 4-(N'-Benzyl-N'-chlorocarbonyl)aminobutyl .alpha.-dibenzylaminacetate 2-[bis(phenylmethyl)amino]acetic acid 4-[carbonochloridoyl-(phenylmethyl)amino]butyl ester 4-[benzyl(carbonochloridoyl)amino]butyl 2-(dibenzylamino)acetate 4-[benzyl(chlorocarbonyl)amino]butyl 2-(dibenzylamino)acetate 4-[carbonochloridoyl-(phenylmethyl)amino]butyl 2-[bis(phenylmethyl)amino]ethanoate
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Formula C28H31ClN2O3
InChI InChI=1S/C28H31ClN2O3/c29-28(33)31(22-26-16-8-3-9-17-26)18-10-11-19-34-27(32)23-30(20-24-12-4-1-5-13-24)21-25-14-6-2-7-15-25/h1-9,12-17H,10-11,18-23H2
InChIKey IJHWSBQXUUPVNB-UHFFFAOYSA-N
Molecular Weight 479.020 g/mol
SMILES C(N(Cc1ccccc1)CCCCOC(CN(Cc1ccccc1)Cc1ccccc1)=O)(=O)Cl
SPLASH splash10-01ox-9091000000-3de193d72a3fcd2935a2
Source of Spectrum J-68-616-29
Wiley ID 1536232