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3-(2-Methylpropylamino)-3-phenyl-propanoic acid
SpectraBase Compound ID JMZAOnHl5Sm
InChI InChI=1S/C13H19NO2/c1-10(2)9-14-12(8-13(15)16)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)
InChIKey WXNPMXXYUSMZAV-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lum1iqxwyMS
Name 3-(2-Methylpropylamino)-3-phenyl-propanoic acid
Alternate Name(s) 3-(isobutylamino)-3-phenyl-propanoic acid 3-(isobutylamino)-3-phenyl-propionic acid Propionic acid, 3-isobutylamino-3-phenyl-
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Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(2)9-14-12(8-13(15)16)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,15,16)
InChIKey WXNPMXXYUSMZAV-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES OC(CC(NCC(C)C)c1ccccc1)=O
SPLASH splash10-056r-5900000000-7f3e994027901b2f288f
Wiley ID 1446973