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4-{[(4-chlorophenyl)sulfanyl]methyl}benzoic acid, tms derivative
SpectraBase Compound ID DsvLPGuiq5j
InChI InChI=1S/C17H19ClO2SSi/c1-22(2,3)20-17(19)14-6-4-13(5-7-14)12-21-16-10-8-15(18)9-11-16/h4-11H,12H2,1-3H3
InChIKey VPDMPEISKJJYNZ-UHFFFAOYSA-N
Mol Weight 350.94 g/mol
Molecular Formula C17H19ClO2SSi
Exact Mass 350.056355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzPzTVC6vdL
Name 4-{[(4-chlorophenyl)sulfanyl]methyl}benzoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 350.056355259 u
Formula C17H19ClO2SSi
InChI InChI=1S/C17H19ClO2SSi/c1-22(2,3)20-17(19)14-6-4-13(5-7-14)12-21-16-10-8-15(18)9-11-16/h4-11H,12H2,1-3H3
InChIKey VPDMPEISKJJYNZ-UHFFFAOYSA-N
Molecular Weight 350.935 g/mol
SMILES C(SC1=CC=C(C=C1)Cl)C1=CC=C(C=C1)C(=O)O[Si](C)(C)C