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L-3-Cyanophenylalanine, 2tms
SpectraBase Compound ID GgOfbtTNvOA
InChI InChI=1S/C16H26N2O2Si2/c1-21(2,3)18-15(16(19)20-22(4,5)6)11-13-8-7-9-14(10-13)12-17/h7-10,15,18H,11H2,1-6H3/t15-/m0/s1
InChIKey MJLFGCQMQWFJKN-HNNXBMFYSA-N
Mol Weight 334.57 g/mol
Molecular Formula C16H26N2O2Si2
Exact Mass 334.153281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KNA7vkQHFJ
Name L-3-Cyanophenylalanine, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 334.153281153 u
Formula C16H26N2O2Si2
InChI InChI=1S/C16H26N2O2Si2/c1-21(2,3)18-15(16(19)20-22(4,5)6)11-13-8-7-9-14(10-13)12-17/h7-10,15,18H,11H2,1-6H3/t15-/m0/s1
InChIKey MJLFGCQMQWFJKN-HNNXBMFYSA-N
Molecular Weight 334.566 g/mol
SMILES [C@@](N[Si](C)(C)C)([H])(CC1=CC(=CC=C1)C#N)C(=O)O[Si](C)(C)C