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2-[carbomethoxy(methyl)amino]-3-phenyl-propionic acid
SpectraBase Compound ID 5zgsOyRYNvK
InChI InChI=1S/C12H15NO4/c1-13(12(16)17-2)10(11(14)15)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKey SBONHONQNJSMQQ-UHFFFAOYSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID N1qG0JMuuc
Name 2-[carbomethoxy(methyl)amino]-3-phenyl-propionic acid
Alternate Name(s) 2-[methoxycarbonyl(methyl)amino]-3-phenyl-propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-13(12(16)17-2)10(11(14)15)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKey SBONHONQNJSMQQ-UHFFFAOYSA-N
Molecular Weight 237.255 g/mol
SMILES OC(C(N(C(=O)OC)C)Cc1ccccc1)=O
SPLASH splash10-0002-0900000000-42a25f3b5253890d8ffb
Source of Spectrum E2-48-117-1
Wiley ID 1555045