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N-Benzyl-N-(2-trimethylsilylethynylphenylethynyl)4-methylbenzenesulfonamide
SpectraBase Compound ID D9n8zlNIxGB
InChI InChI=1S/C27H27NO2SSi/c1-23-14-16-27(17-15-23)31(29,30)28(22-24-10-6-5-7-11-24)20-18-25-12-8-9-13-26(25)19-21-32(2,3)4/h5-17H,22H2,1-4H3
InChIKey XMBJWHCVYKDMHH-UHFFFAOYSA-N
Mol Weight 457.66 g/mol
Molecular Formula C27H27NO2SSi
Exact Mass 457.153177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhH2b7DDDVq
Name N-Benzyl-N-(2-trimethylsilylethynylphenylethynyl)4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 457.153176820 u
Formula C27H27NO2SSi
InChI InChI=1S/C27H27NO2SSi/c1-23-14-16-27(17-15-23)31(29,30)28(22-24-10-6-5-7-11-24)20-18-25-12-8-9-13-26(25)19-21-32(2,3)4/h5-17H,22H2,1-4H3
InChIKey XMBJWHCVYKDMHH-UHFFFAOYSA-N
Molecular Weight 457.663 g/mol
SMILES C(N(S(C=1C=CC(=CC1)C)(=O)=O)CC=1C=CC=CC1)#CC=1C(C#C[Si](C)(C)C)=CC=CC1