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N-acetyl-phenylalanine, 1TMS
SpectraBase Compound ID 8KLhsZao88D
InChI InChI=1S/C14H21NO3Si/c1-11(16)15-13(14(17)18-19(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKey QNPZCOJGKNQLHK-ZDUSSCGKSA-N
Mol Weight 279.41 g/mol
Molecular Formula C14H21NO3Si
Exact Mass 279.12907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0RQmJum0xM
Name N-acetyl-phenylalanine, 1TMS
Comments Derivatization type: 1 TMS (mass: 279.129); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000014; Note: The molecular formula of the structure shown is C11H13NO3 - which differs from the formula reported for the mass spectrum (C14H21NO3Si)
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Formula C14H21NO3Si
InChI InChI=1S/C14H21NO3Si/c1-11(16)15-13(14(17)18-19(2,3)4)10-12-8-6-5-7-9-12/h5-9,13H,10H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKey QNPZCOJGKNQLHK-ZDUSSCGKSA-N
Molecular Weight 279.411 g/mol
SMILES N(C(C)=O)[C@@](Cc1ccccc1)(C(=O)O[Si](C)(C)C)[H]
SPLASH splash10-00dl-2920000000-5ced9d71631ce5d6dc5b
Source of Spectrum FM-2019-14-0
Synonyms Acetylphenylalanine, 1TMS N-Acetyl-L-phenylalanine, 1TMS N-Acetylphenylalanine, 1TMS Acetyl-L-phenylalanine, 1TMS L-N-Acetylphenylalanine, 1TMS Maybridge1_002391, 1TMS (2S)-2-acetamido-3-phenylpropanoic acid, 1TMS Trimethylsilyl acetyl-L-phenylalaninate
Wiley ID 1817716