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3-(1-Benzothien-3-yl)alanine, 2tms derivative

View entire compound with spectra: 1 NMR

3-(1-Benzothien-3-yl)alanine, 2tms derivative
SpectraBase Compound ID 5kqax6pPvMe
InChI InChI=1S/C17H27NO2SSi2/c1-22(2,3)18-15(17(19)20-23(4,5)6)11-13-12-21-16-10-8-7-9-14(13)16/h7-10,12,15,18H,11H2,1-6H3
InChIKey IPZLIFXDBHHVIO-UHFFFAOYSA-N
Mol Weight 365.64 g/mol
Molecular Formula C17H27NO2SSi2
Exact Mass 365.130103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8lbHYEk8Iny
Name 3-(1-Benzothien-3-yl)alanine, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 365.130103355 u
Formula C17H27NO2SSi2
InChI InChI=1S/C17H27NO2SSi2/c1-22(2,3)18-15(17(19)20-23(4,5)6)11-13-12-21-16-10-8-7-9-14(13)16/h7-10,12,15,18H,11H2,1-6H3
InChIKey IPZLIFXDBHHVIO-UHFFFAOYSA-N
Molecular Weight 365.638 g/mol
SMILES C1=2SC=C(C2C=CC=C1)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C