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N-Acetyl-.alpha.-propargylphenylalanine

View entire compound with spectra: 1 MS (GC)

N-Acetyl-.alpha.-propargylphenylalanine
SpectraBase Compound ID HgftGJlJwRp
InChI InChI=1S/C14H15NO3/c1-3-9-14(13(17)18,15-11(2)16)10-12-7-5-4-6-8-12/h1,4-8H,9-10H2,2H3,(H,15,16)(H,17,18)/t14-/m0/s1
InChIKey XHOFVCSIOSDSDL-AWEZNQCLSA-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 oVXABFCjbp
Name N-Acetyl-.alpha.-propargylphenylalanine
Alternate Name(s) (2S)-2-(acetylamino)-2-benzyl-4-pentynoic acid
CAS Registry Number 86748-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-3-9-14(13(17)18,15-11(2)16)10-12-7-5-4-6-8-12/h1,4-8H,9-10H2,2H3,(H,15,16)(H,17,18)/t14-/m0/s1
InChIKey XHOFVCSIOSDSDL-AWEZNQCLSA-N
Molecular Weight 245.278 g/mol
SMILES OC([C@@](NC(=O)C)(Cc1ccccc1)CC#C)=O
SPLASH splash10-0006-9830000000-cccd70718ede636c6a49
Source of Spectrum J-48-3324-0
Wiley ID 1248005