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rac-3-Amino-2-(4-tert-butylphenyl)propionic Acid
SpectraBase Compound ID fqc14oIVI4
InChI InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)11(8-14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKey ADUXVGBSNRFUKM-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 1YOSgelmcsI
Name rac-3-Amino-2-(4-tert-butylphenyl)propionic Acid
Alternate Name(s) 3-Amino-2-(4-tert-butylphenyl)propanoic acid 3-Azanyl-2-(4-tert-butylphenyl)propanoic acid
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Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)11(8-14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChIKey ADUXVGBSNRFUKM-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES OC(C(CN)c1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-052o-1900000000-38bd81259f455d890808
Source of Spectrum U1-2010-6401-24c
Wiley ID 1664593