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(3R)-3-(p-Fluorophenyl)butyl 4-methyl-1-benzenesulfonate

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

(3R)-3-(p-Fluorophenyl)butyl 4-methyl-1-benzenesulfonate
SpectraBase Compound ID FSSGdiirwH9
InChI InChI=1S/C17H19FO3S/c1-13-3-9-17(10-4-13)22(19,20)21-12-11-14(2)15-5-7-16(18)8-6-15/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKey WNRIJMVCYJMDCX-CQSZACIVSA-N
Mol Weight 322.39 g/mol
Molecular Formula C17H19FO3S
Exact Mass 322.103894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6a9m6byaI6r
Name (3R)-3-(p-Fluorophenyl)butyl 4-methyl-1-benzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 322.103893806 u
Formula C17H19FO3S
InChI InChI=1S/C17H19FO3S/c1-13-3-9-17(10-4-13)22(19,20)21-12-11-14(2)15-5-7-16(18)8-6-15/h3-10,14H,11-12H2,1-2H3/t14-/m1/s1
InChIKey WNRIJMVCYJMDCX-CQSZACIVSA-N
Molecular Weight 322.394 g/mol
SMILES C1(S(=O)(=O)OCC[C@](C=2C=CC(=CC2)F)(C)[H])=CC=C(C=C1)C