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Phenylalanine, N-benzoyl-.beta.-2-propynyl-, threo-
SpectraBase Compound ID LGgRaOt92op
InChI InChI=1S/C19H17NO3/c1-2-9-16(14-10-5-3-6-11-14)17(19(22)23)20-18(21)15-12-7-4-8-13-15/h1,3-8,10-13,16-17H,9H2,(H,20,21)(H,22,23)/t16-,17-/m1/s1
InChIKey DPBBULFJUGJWLC-IAGOWNOFSA-N
Mol Weight 307.35 g/mol
Molecular Formula C19H17NO3
Exact Mass 307.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPmrwEbpY55
Name Phenylalanine, N-benzoyl-.beta.-2-propynyl-, threo-
CAS Registry Number 96666-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO3
InChI InChI=1S/C19H17NO3/c1-2-9-16(14-10-5-3-6-11-14)17(19(22)23)20-18(21)15-12-7-4-8-13-15/h1,3-8,10-13,16-17H,9H2,(H,20,21)(H,22,23)/t16-,17-/m1/s1
InChIKey DPBBULFJUGJWLC-IAGOWNOFSA-N
Molecular Weight 307.349 g/mol
SMILES N([C@@](C(=O)O)([C@@](c1ccccc1)(CC#C)[H])[H])C(=O)c1ccccc1
SPLASH splash10-0a6r-2900000000-1ad3d4a514abb809448b
Source of Spectrum J-50-2335-12
Synonyms (2R*,3R*)-2-benzamido-3-phenyl-5-hexynoic acid (2R,3R)-2-(benzoylamino)-3-phenyl-5-hexynoic acid (3R*,4R*)-3-benzamido-4-phenyl-6-methylenetetrahydro-2-pyranone
Wiley ID 1309105