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.beta.-alanine, N-(3-chlorobutyl)-N-(phenylmethyl)-, ethyl ester
SpectraBase Compound ID JEkfRC64RyQ
InChI InChI=1S/C16H24ClNO2/c1-3-20-16(19)10-12-18(11-9-14(2)17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKey JNLZSJKFMKRFEE-UHFFFAOYSA-N
Mol Weight 297.83 g/mol
Molecular Formula C16H24ClNO2
Exact Mass 297.149557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fuSxg8CyUZ
Name .beta.-alanine, N-(3-chlorobutyl)-N-(phenylmethyl)-, ethyl ester
Alternate Name(s) Ethyl 3-(benzyl(3-chlorobutyl)amino)propanoate Ethyl N-benzyl-N-(3-chlorobutyl)-.beta.-alaninate 3-[3-chlorobutyl-(phenylmethyl)amino]propanoic acid ethyl ester Ethyl 3-[benzyl(3-chlorobutyl)amino]propanoate Ethyl 3-[3-chloranylbutyl-(phenylmethyl)amino]propanoate
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Formula C16H24ClNO2
InChI InChI=1S/C16H24ClNO2/c1-3-20-16(19)10-12-18(11-9-14(2)17)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3
InChIKey JNLZSJKFMKRFEE-UHFFFAOYSA-N
Molecular Weight 297.826 g/mol
SMILES CCOC(=O)CCN(CCC(C)Cl)Cc1ccccc1
SPLASH splash10-0006-9230000000-61958f7c7479462d0eb2
Source of Spectrum JX-2015-2-1536
Wiley ID 1723169