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3-(1-pyrazolyl)-L-alanine, 2TMS
SpectraBase Compound ID Ap4ZjIEVmB5
InChI InChI=1S/C12H25N3O2Si2/c1-18(2,3)14-11(10-15-9-7-8-13-15)12(16)17-19(4,5)6/h7-9,11,14H,10H2,1-6H3/t11-/m0/s1
InChIKey WFDLVBGKLACDAJ-NSHDSACASA-N
Mol Weight 299.52 g/mol
Molecular Formula C12H25N3O2Si2
Exact Mass 299.14853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BL2UkFR0Yhg
Name 3-(1-pyrazolyl)-L-alanine, 2TMS
Comments Derivatization type: 2 TMS (mass: 299.149); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000750; Note: The molecular formula of the structure shown is C6H9N3O2 - which differs from the formula reported for the mass spectrum (C12H25N3O2Si2)
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Formula C12H25N3O2Si2
InChI InChI=1S/C12H25N3O2Si2/c1-18(2,3)14-11(10-15-9-7-8-13-15)12(16)17-19(4,5)6/h7-9,11,14H,10H2,1-6H3/t11-/m0/s1
InChIKey WFDLVBGKLACDAJ-NSHDSACASA-N
Molecular Weight 299.521 g/mol
SMILES N([C@@](C[n]1cccn1)(C(=O)O[Si](C)(C)C)[H])[Si](C)(C)C
SPLASH splash10-0gc0-0920000000-2f41fbc37d760ed19342
Source of Spectrum FM-2019-750-0
Synonyms Pyrazole-1-alanine, 2TMS beta-Pyrazol-1-ylalanine, 2TMS beta-(Pyrazole-1-yl)-ala, 2TMS 3-(Pyrazol-1-yl)-L-alanine, 2TMS 3-(1-Pyrazolyl)-L-alanine, 2TMS 06993_FLUKA, 2TMS (2S)-2-amino-3-pyrazol-1-ylpropanoic acid, 2TMS Trimethylsilyl (S)-3-(1H-pyrazol-1-yl)-2-((trimethylsilyl)amino)propanoate
Wiley ID 1818426