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N-Benzoyl-N-methyl-isoleucine

View entire compound with spectra: 4 NMR, and 1 MS (GC)

N-Benzoyl-N-methyl-isoleucine
SpectraBase Compound ID 8FKVOyt2pqd
InChI InChI=1S/C14H19NO3/c1-4-10(2)12(14(17)18)15(3)13(16)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKey PWDBFVOKBGVYHY-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 975I5PDMtwN
Name 2-[benzoyl(methyl)amino]-3-methyl-pentanoic acid
Alternate Name(s) 2-[benzoyl(methyl)amino]-3-methyl-valeric acid 3-methyl-2-[methyl(phenylcarbonyl)amino]pentanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H19NO3
InChI InChI=1S/C14H19NO3/c1-4-10(2)12(14(17)18)15(3)13(16)11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,17,18)
InChIKey PWDBFVOKBGVYHY-UHFFFAOYSA-N
Molecular Weight 249.310 g/mol
SMILES OC(C(N(C(=O)c1ccccc1)C)C(CC)C)=O
SPLASH splash10-0a4i-0900000000-8a5daf27d4017e826b29
Source of Spectrum E2-48-1341-8
Wiley ID 1555300