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Methyl ester of [R-(R*,S*)]-.alpha.-hydroxy-.beta.-[(2-methyl-1-oxo-2-butenyl)amino]benzenepropanoic acid
SpectraBase Compound ID G8CTCGpvN4B
InChI InChI=1S/C15H19NO4/c1-4-10(2)14(18)16-12(13(17)15(19)20-3)11-8-6-5-7-9-11/h4-9,12-13,17H,1-3H3,(H,16,18)/b10-4-/t12-,13+/m0/s1
InChIKey LVUWCAIZMNSXAD-LKMNKNEDSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oMFa0GKFPG
Name Methyl ester of [R-(R*,S*)]-.alpha.-hydroxy-.beta.-[(2-methyl-1-oxo-2-butenyl)amino]benzenepropanoic acid
CAS Registry Number 71610-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c1-4-10(2)14(18)16-12(13(17)15(19)20-3)11-8-6-5-7-9-11/h4-9,12-13,17H,1-3H3,(H,16,18)/b10-4-/t12-,13+/m0/s1
InChIKey LVUWCAIZMNSXAD-LKMNKNEDSA-N
Molecular Weight 277.320 g/mol
SMILES N([C@]([C@](C(=O)OC)(O)[H])(c1ccccc1)[H])C(\C(=C/C)C)=O
SPLASH splash10-053r-9100000000-f0e5075cb5823bfab77a
Source of Spectrum J-46-1474-0
Synonyms Methyl (2R,3S)-2-hydroxy-3-{[(2Z)-2-methyl-2-butenoyl]amino}-3-phenylpropanoate
Wiley ID 1280997