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Phenylalanine, N-acetyl-.beta.-2-propynyl-, ethyl ester, threo-
SpectraBase Compound ID HJQNcDTciVp
InChI InChI=1S/C16H19NO3/c1-4-9-14(13-10-7-6-8-11-13)15(17-12(3)18)16(19)20-5-2/h1,6-8,10-11,14-15H,5,9H2,2-3H3,(H,17,18)/t14-,15-/m1/s1
InChIKey MPEINONKMGUBQS-HUUCEWRRSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzuqSofb9fs
Name Phenylalanine, N-acetyl-.beta.-2-propynyl-, ethyl ester, threo-
CAS Registry Number 96666-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-4-9-14(13-10-7-6-8-11-13)15(17-12(3)18)16(19)20-5-2/h1,6-8,10-11,14-15H,5,9H2,2-3H3,(H,17,18)/t14-,15-/m1/s1
InChIKey MPEINONKMGUBQS-HUUCEWRRSA-N
Molecular Weight 273.332 g/mol
SMILES N([C@@](C(=O)OCC)([C@@](c1ccccc1)(CC#C)[H])[H])C(=O)C
SPLASH splash10-004i-1910000000-a6e48958002379f9d422
Source of Spectrum J-50-2335-9
Synonyms Ethyl (2R*,3R*)-2-acetamido-3-phenyl-5-hexynoate Ethyl (2R,3R)-2-(acetylamino)-3-phenyl-5-hexynoate
Wiley ID 1277316