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4-[(Phenylsulfanyl)methyl]benzoic acid, tert-butyldimethylsilyl ester

View entire compound with spectra: 1 NMR

4-[(Phenylsulfanyl)methyl]benzoic acid, tert-butyldimethylsilyl ester
SpectraBase Compound ID Cffasb0Js4P
InChI InChI=1S/C20H26O2SSi/c1-20(2,3)24(4,5)22-19(21)17-13-11-16(12-14-17)15-23-18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
InChIKey DBSPCFORCHNMSV-UHFFFAOYSA-N
Mol Weight 358.57 g/mol
Molecular Formula C20H26O2SSi
Exact Mass 358.142278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9nym7wjOiu
Name 4-[(Phenylsulfanyl)methyl]benzoic acid, tert-butyldimethylsilyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.142277784 u
Formula C20H26O2SSi
InChI InChI=1S/C20H26O2SSi/c1-20(2,3)24(4,5)22-19(21)17-13-11-16(12-14-17)15-23-18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
InChIKey DBSPCFORCHNMSV-UHFFFAOYSA-N
Molecular Weight 358.571 g/mol
SMILES C(SC1=CC=CC=C1)C1=CC=C(C=C1)C(=O)O[Si](C)(C(C)(C)C)C