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3-(3'-Methoxyphenyl)-2-methylalanine - methyl ester
SpectraBase Compound ID HB05Nkwwg6N
InChI InChI=1S/C12H17NO3/c1-12(13,11(14)16-3)8-9-5-4-6-10(7-9)15-2/h4-7H,8,13H2,1-3H3/t12-/m0/s1
InChIKey TYWSERJLIGNGTC-LBPRGKRZSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyXCP9jU5tD
Name 3-(3'-Methoxyphenyl)-2-methylalanine - methyl ester
Alternate Name(s) Methyl (2S)-2-amino-3-(3-methoxyphenyl)-2-methylpropanoate
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Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-12(13,11(14)16-3)8-9-5-4-6-10(7-9)15-2/h4-7H,8,13H2,1-3H3/t12-/m0/s1
InChIKey TYWSERJLIGNGTC-LBPRGKRZSA-N
Molecular Weight 223.272 g/mol
SMILES N[C@](C(=O)OC)(Cc1cc(OC)ccc1)C
SPLASH splash10-0w2c-4900000000-58b7696b2f3cee698441
Source of Spectrum U-1993-798-52
Wiley ID 765096