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N-acetyl-phenylalanine, 2TMS
SpectraBase Compound ID 7XTFIYulY1E
InChI InChI=1S/C17H29NO3Si2/c1-14(19)18(22(2,3)4)16(17(20)21-23(5,6)7)13-15-11-9-8-10-12-15/h8-12,16H,13H2,1-7H3/t16-/m0/s1
InChIKey KLUVOLGWBXMDAH-INIZCTEOSA-N
Mol Weight 351.59 g/mol
Molecular Formula C17H29NO3Si2
Exact Mass 351.168597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Do6bGHNdxap
Name N-acetyl-phenylalanine, 2TMS
Comments Derivatization type: 2 TMS (mass: 351.169); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000013; Note: The molecular formula of the structure shown is C11H13NO3 - which differs from the formula reported for the mass spectrum (C17H29NO3Si2)
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Formula C17H29NO3Si2
InChI InChI=1S/C17H29NO3Si2/c1-14(19)18(22(2,3)4)16(17(20)21-23(5,6)7)13-15-11-9-8-10-12-15/h8-12,16H,13H2,1-7H3/t16-/m0/s1
InChIKey KLUVOLGWBXMDAH-INIZCTEOSA-N
Molecular Weight 351.593 g/mol
SMILES CC(N([C@@](Cc1ccccc1)(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C)=O
SPLASH splash10-0fr7-1950000000-4bb1bbf6667923dbf1be
Source of Spectrum FM-2019-13-0
Synonyms Acetylphenylalanine, 2TMS N-Acetyl-L-phenylalanine, 2TMS N-Acetylphenylalanine, 2TMS Acetyl-L-phenylalanine, 2TMS L-N-Acetylphenylalanine, 2TMS Maybridge1_002391, 2TMS (2S)-2-acetamido-3-phenylpropanoic acid, 2TMS Trimethylsilyl N-acetyl-N-(trimethylsilyl)-L-phenylalaninate
Wiley ID 1817715