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nin-Formyl-L-tryptophan, tms
SpectraBase Compound ID By5qDRuIRkE
InChI InChI=1S/C15H20N2O3Si/c1-21(2,3)20-15(19)13(16)8-11-9-17(10-18)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,16H2,1-3H3/t13-/m0/s1
InChIKey LNVFBVPTGRVUDX-ZDUSSCGKSA-N
Mol Weight 304.42 g/mol
Molecular Formula C15H20N2O3Si
Exact Mass 304.124319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGLrWkmwBew
Name nin-Formyl-L-tryptophan, tms
Comments Computed using HOSE algorithm
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Exact Mass 304.124319044 u
Formula C15H20N2O3Si
InChI InChI=1S/C15H20N2O3Si/c1-21(2,3)20-15(19)13(16)8-11-9-17(10-18)14-7-5-4-6-12(11)14/h4-7,9-10,13H,8,16H2,1-3H3/t13-/m0/s1
InChIKey LNVFBVPTGRVUDX-ZDUSSCGKSA-N
Molecular Weight 304.421 g/mol
SMILES C([C@@](C(O[Si](C)(C)C)=O)(N)[H])C=1C2=C(C=CC=C2)N(C1)C=O