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Alanine, N-(2-hydroxy-1-oxo-3-phenylpropyl)-2-methyl-
SpectraBase Compound ID 3PDpSsqZLTD
InChI InChI=1S/C13H17NO4/c1-13(2,12(17)18)14-11(16)10(15)8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKey NGMRPJWLIVJLDH-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4F4Dqi3Tq2l
Name Alanine, N-(2-hydroxy-1-oxo-3-phenylpropyl)-2-methyl-
Alternate Name(s) 2-(2-Hydroxy-3-phenylpropionamido)-2-methylpropionic acid N-(2-hydroxy-3-phenylpropanoyl)-2-methylalanine
CAS Registry Number 111492-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-13(2,12(17)18)14-11(16)10(15)8-9-6-4-3-5-7-9/h3-7,10,15H,8H2,1-2H3,(H,14,16)(H,17,18)
InChIKey NGMRPJWLIVJLDH-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES N(C(C(Cc1ccccc1)O)=O)C(C(=O)O)(C)C
SPLASH splash10-0a5l-9400000000-89bee053f784efca0c1a
Source of Spectrum H-70-112-13
Wiley ID 1254485