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Phenylalanine, N-acetyl-.beta.-2-propynyl-, erythro-
SpectraBase Compound ID H7K2rZCBueZ
InChI InChI=1S/C14H15NO3/c1-3-7-12(11-8-5-4-6-9-11)13(14(17)18)15-10(2)16/h1,4-6,8-9,12-13H,7H2,2H3,(H,15,16)(H,17,18)/t12-,13+/m0/s1
InChIKey IFCFWWNIHMGXDQ-QWHCGFSZSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnG1RZZc486
Name Phenylalanine, N-acetyl-.beta.-2-propynyl-, erythro-
Alternate Name(s) (2R*,3S*)-2-acetamido-3-phenyl-5-hexynoic acid (2R,3S)-2-(acetylamino)-3-phenyl-5-hexynoic acid
CAS Registry Number 96688-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-3-7-12(11-8-5-4-6-9-11)13(14(17)18)15-10(2)16/h1,4-6,8-9,12-13H,7H2,2H3,(H,15,16)(H,17,18)/t12-,13+/m0/s1
InChIKey IFCFWWNIHMGXDQ-QWHCGFSZSA-N
Molecular Weight 245.278 g/mol
SMILES OC([C@](NC(=O)C)([C@](c1ccccc1)(CC#C)[H])[H])=O
SPLASH splash10-004i-1900000000-b4488798a4fd195e7009
Source of Spectrum J-50-2335-11
Wiley ID 1248022