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Alanine, 2-methyl-N-(2,4,6-trimethylbenzoyl)-
SpectraBase Compound ID 46SdDK94Lgj
InChI InChI=1S/C14H19NO3/c1-8-6-9(2)11(10(3)7-8)12(16)15-14(4,5)13(17)18/h6-7H,1-5H3,(H,15,16)(H,17,18)
InChIKey BDDRQZMKQZMWKI-UHFFFAOYSA-N
Mol Weight 249.31 g/mol
Molecular Formula C14H19NO3
Exact Mass 249.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MTEmp0fC1G
Name Alanine, 2-methyl-N-(2,4,6-trimethylbenzoyl)-
Alternate Name(s) 2-Methyl-2-(2,4,6-trimethylbenzoylamino)propanoic acid N-(mesitylcarbonyl)-2-methylalanine 2-methyl-2-[[oxo-(2,4,6-trimethylphenyl)methyl]amino]propanoic acid 2-methyl-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid 2-methyl-2-[(2,4,6-trimethylphenyl)carbonylamino]propanoic acid
CAS Registry Number 86951-79-3
Comments Less than 3 mono-isotopic peaks
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Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-8-6-9(2)11(10(3)7-8)12(16)15-14(4,5)13(17)18/h6-7H,1-5H3,(H,15,16)(H,17,18)
InChIKey BDDRQZMKQZMWKI-UHFFFAOYSA-N
Molecular Weight 249.310 g/mol
SMILES N(C(c1c(cc(cc1C)C)C)=O)C(C(=O)O)(C)C
SPLASH splash10-0002-0900000000-4865e9f069240df2702f
Source of Spectrum KC-1983-982-0
Wiley ID 1252226