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4-[(4-Bromophenyl)sulfanyl]butanoic acid, tert-butyldimethylsilyl ester
SpectraBase Compound ID 10PhAWZ7cln
InChI InChI=1S/C16H25BrO2SSi/c1-16(2,3)21(4,5)19-15(18)7-6-12-20-14-10-8-13(17)9-11-14/h8-11H,6-7,12H2,1-5H3
InChIKey SXAFAQPTEFGYBS-UHFFFAOYSA-N
Mol Weight 389.42 g/mol
Molecular Formula C16H25BrO2SSi
Exact Mass 388.052791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMnKs0v9FnJ
Name 4-[(4-Bromophenyl)sulfanyl]butanoic acid, tert-butyldimethylsilyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.052790752 u
Formula C16H25BrO2SSi
InChI InChI=1S/C16H25BrO2SSi/c1-16(2,3)21(4,5)19-15(18)7-6-12-20-14-10-8-13(17)9-11-14/h8-11H,6-7,12H2,1-5H3
InChIKey SXAFAQPTEFGYBS-UHFFFAOYSA-N
Molecular Weight 389.423 g/mol
SMILES C(SC1=CC=C(C=C1)Br)CCC(=O)O[Si](C)(C(C)(C)C)C