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Phenylalanine, .beta.-2-propynyl-, ethyl ester, threo-
SpectraBase Compound ID EjmZnlcs6FN
InChI InChI=1S/C14H17NO2/c1-3-8-12(11-9-6-5-7-10-11)13(15)14(16)17-4-2/h1,5-7,9-10,12-13H,4,8,15H2,2H3/t12-,13-/m1/s1
InChIKey IEELWLADCHSIEX-CHWSQXEVSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WXwY1T4k0q
Name Phenylalanine, .beta.-2-propynyl-, ethyl ester, threo-
Alternate Name(s) Ethyl (2R*,3R*)-2-amino-3-phenyl-5-hexynoate Ethyl (2R,3R)-2-amino-3-phenyl-5-hexynoate
CAS Registry Number 96666-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-3-8-12(11-9-6-5-7-10-11)13(15)14(16)17-4-2/h1,5-7,9-10,12-13H,4,8,15H2,2H3/t12-,13-/m1/s1
InChIKey IEELWLADCHSIEX-CHWSQXEVSA-N
Molecular Weight 231.295 g/mol
SMILES N[C@@](C(=O)OCC)([C@@](c1ccccc1)(CC#C)[H])[H]
SPLASH splash10-14vi-3900000000-35543abe09cc3960cbc7
Source of Spectrum J-50-2334-6
Wiley ID 1232902