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N-Isovaleryl-phenylalanine methyl ester
SpectraBase Compound ID 4WL4PBzCDyI
InChI InChI=1S/C15H21NO3/c1-11(2)9-14(17)16-13(15(18)19-3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKey ISJVRGWTEXYFJC-UHFFFAOYSA-N
Mol Weight 263.34 g/mol
Molecular Formula C15H21NO3
Exact Mass 263.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAL0rdySinq
Name 2-(isovalerylamino)-3-phenyl-propionic acid methyl ester
Alternate Name(s) 2-[(3-methyl-1-oxobutyl)amino]-3-phenylpropanoic acid methyl ester Methyl 2-(3-methylbutanoylamino)-3-phenyl-propanoate Phenylalanine, N-isovaleryl-, methyl ester
CAS Registry Number 118387-67-0
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Formula C15H21NO3
InChI InChI=1S/C15H21NO3/c1-11(2)9-14(17)16-13(15(18)19-3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)
InChIKey ISJVRGWTEXYFJC-UHFFFAOYSA-N
Molecular Weight 263.337 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OC)C(=O)CC(C)C
SPLASH splash10-08g3-9600000000-5f24230d55c936eefde3
Source of Spectrum HE-1986-1758-0
Wiley ID 1266948