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N-[(4-Methylphenyl)sulfonyl]serine, 2 tms derivative
SpectraBase Compound ID 4wmbxsgoW1q
InChI InChI=1S/C16H29NO5SSi2/c1-13-8-10-14(11-9-13)23(19,20)17-15(12-21-24(2,3)4)16(18)22-25(5,6)7/h8-11,15,17H,12H2,1-7H3
InChIKey YYELHCTTYJSENJ-UHFFFAOYSA-N
Mol Weight 403.64 g/mol
Molecular Formula C16H29NO5SSi2
Exact Mass 403.130497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gdI9wNGBB7
Name N-[(4-Methylphenyl)sulfonyl]serine, 2 tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 403.130497277 u
Formula C16H29NO5SSi2
InChI InChI=1S/C16H29NO5SSi2/c1-13-8-10-14(11-9-13)23(19,20)17-15(12-21-24(2,3)4)16(18)22-25(5,6)7/h8-11,15,17H,12H2,1-7H3
InChIKey YYELHCTTYJSENJ-UHFFFAOYSA-N
Molecular Weight 403.640 g/mol
SMILES C(NS(=O)(=O)C1=CC=C(C=C1)C)(CO[Si](C)(C)C)C(=O)O[Si](C)(C)C