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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TIN7s1Gmbf
Name (3R)-3-(p-Fluorophenyl)butyl 4-Methyl-1-benzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid[(3R)-3-(4-fluorophenyl)butyl]ester [(3R)-3-(4-fluorophenyl)butyl]4-methylbenzenesulfonate [(3R)-3-(4-fluorophenyl)butyl] 4-methylbenzenesulfonate
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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@](c2ccc(cc2)F)(C)[H])ccc(cc1)C
SPLASH splash10-0ukr-2900000000-0f9186895ba3c934a88d
Source of Spectrum F-70-4136-11
Wiley ID 1596922