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l-Alanine, N-(p-toluoyl)-, octyl ester
SpectraBase Compound ID CtJDUZU6qxu
InChI InChI=1S/C19H29NO3/c1-4-5-6-7-8-9-14-23-19(22)16(3)20-18(21)17-12-10-15(2)11-13-17/h10-13,16H,4-9,14H2,1-3H3,(H,20,21)
InChIKey HRNFCPQVIXNQBD-UHFFFAOYSA-N
Mol Weight 319.45 g/mol
Molecular Formula C19H29NO3
Exact Mass 319.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkfjPtL78E0
Name l-Alanine, N-(p-toluoyl)-, octyl ester
Alternate Name(s) 2-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid octyl ester Octyl 2-[(4-methylbenzoyl)amino]propanoate Octyl 2-[(4-methylphenyl)carbonylamino]propanoate
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Formula C19H29NO3
InChI InChI=1S/C19H29NO3/c1-4-5-6-7-8-9-14-23-19(22)16(3)20-18(21)17-12-10-15(2)11-13-17/h10-13,16H,4-9,14H2,1-3H3,(H,20,21)
InChIKey HRNFCPQVIXNQBD-UHFFFAOYSA-N
Molecular Weight 319.445 g/mol
SMILES N(C(c1ccc(cc1)C)=O)C(C(OCCCCCCCC)=O)C
SPLASH splash10-02t9-0900000000-faa33913ec9038b251f0
Source of Spectrum NP-11-1814-0
Wiley ID 1109430