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.beta.-Alanine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester
SpectraBase Compound ID Em9zszS4pNl
InChI InChI=1S/C12H31NO2Si3/c1-16(2,3)13(17(4,5)6)11-10-12(14)15-18(7,8)9/h10-11H2,1-9H3
InChIKey MKLCEJSOJVLNMP-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 InKRfHOeGPU
Name beta-alanine, 3TMS
Comments Derivatization type: 3 TMS (mass: 305.166); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000039; 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/c1-16(2,3)13(17(4,5)6)11-10-12(14)15-18(7,8)9/h10-11H2,1-9H3
InChIKey MKLCEJSOJVLNMP-UHFFFAOYSA-N
Molecular Weight 305.640 g/mol
SMILES C(CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C
SPLASH splash10-0072-2920000000-a6c98fa9b7f62367cc8e
Source of Spectrum FM-2019-39-0
Synonyms beta-alanin, 3TMS Abufene, 3TMS .beta.-Alanine, 3TMS 3-Aminopropanoate, 3TMS 3-Aminopropanoic acid, 3TMS beta-Ala, 3TMS 3-Aminopropanoic acid, 3TMS Trimethylsilyl 3-(bis(trimethylsilyl)amino)propanoate
Wiley ID 1817740