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1-(2-Phenylethyl)-2-phenylsilfonyloctyl benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(2-Phenylethyl)-2-phenylsilfonyloctyl benzoate
SpectraBase Compound ID M7pO04assl
InChI InChI=1S/C29H34O4S/c1-2-3-4-14-21-28(34(31,32)26-19-12-7-13-20-26)27(23-22-24-15-8-5-9-16-24)33-29(30)25-17-10-6-11-18-25/h5-13,15-20,27-28H,2-4,14,21-23H2,1H3
InChIKey XLSFSTPCHAOUHP-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C29H34O4S
Exact Mass 478.217781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2hV6uKyUx4
Name 1-(2-Phenylethyl)-2-phenylsilfonyloctyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.217780745 u
Formula C29H34O4S
InChI InChI=1S/C29H34O4S/c1-2-3-4-14-21-28(34(31,32)26-19-12-7-13-20-26)27(23-22-24-15-8-5-9-16-24)33-29(30)25-17-10-6-11-18-25/h5-13,15-20,27-28H,2-4,14,21-23H2,1H3
InChIKey XLSFSTPCHAOUHP-UHFFFAOYSA-N
Molecular Weight 478.647 g/mol
SMILES C(S(=O)(=O)C1=CC=CC=C1)(C(OC(=O)C=1C=CC=CC1)CCC1=CC=CC=C1)CCCCCC