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alanine, 3TMS
SpectraBase Compound ID 83SzTykIXTt
InChI InChI=1S/C12H31NO2Si3/c1-11(12(14)15-18(8,9)10)13(16(2,3)4)17(5,6)7/h11H,1-10H3
InChIKey JDPKWBHZDCBTPK-UHFFFAOYSA-N
Mol Weight 305.64 g/mol
Molecular Formula C12H31NO2Si3
Exact Mass 305.166259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aZpTfVH2wI
Name alanine, 3TMS
Comments Derivatization type: 3 TMS (mass: 305.166); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000349; Note: The molecular formula of the structure shown is C3H7NO2 - which differs from the formula reported for the mass spectrum (C12H31NO2Si3)
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Formula C12H31NO2Si3
InChI InChI=1S/C12H31NO2Si3/c1-11(12(14)15-18(8,9)10)13(16(2,3)4)17(5,6)7/h11H,1-10H3
InChIKey JDPKWBHZDCBTPK-UHFFFAOYSA-N
Molecular Weight 305.640 g/mol
SMILES CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-0udr-0900000000-5be30d105b9f67619462
Source of Spectrum FM-2019-349-0
Synonyms L-alanine, 3TMS D-alanine, 3TMS alanin, 3TMS DL-ALANINE, 3TMS a-Alanine, 3TMS 2-Aminopropanoic acid, 3TMS Trimethylsilyl bis(trimethylsilyl)alaninate
Wiley ID 1818036