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Toluene-4-sulphonic acid 2(S)-(2,2-diethyl-[1,3]-dioxolan-4(S)-yl)propyl ester
SpectraBase Compound ID DL0F0eiQYt5
InChI InChI=1S/C17H26O5S/c1-5-17(6-2)20-12-16(22-17)14(4)11-21-23(18,19)15-9-7-13(3)8-10-15/h7-10,14,16H,5-6,11-12H2,1-4H3/t14-,16+/m0/s1
InChIKey FISCPBFLLYBNEY-GOEBONIOSA-N
Mol Weight 342.45 g/mol
Molecular Formula C17H26O5S
Exact Mass 342.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATNb4y3Kpsp
Name Toluene-4-sulphonic acid 2(S)-(2,2-diethyl-[1,3]-dioxolan-4(S)-yl)propyl ester
Alternate Name(s) (2S)-2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]propyl 4-methylbenzenesulfonate Toluene-4-sulphonic acid 2(R)-(2,2-diethyl-[1,3]-dioxolan-4(S)-yl)propyl ester
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Formula C17H26O5S
InChI InChI=1S/C17H26O5S/c1-5-17(6-2)20-12-16(22-17)14(4)11-21-23(18,19)15-9-7-13(3)8-10-15/h7-10,14,16H,5-6,11-12H2,1-4H3/t14-,16+/m0/s1
InChIKey FISCPBFLLYBNEY-GOEBONIOSA-N
Molecular Weight 342.450 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]([C@@]1(OC(CC)(CC)OC1)[H])(C)[H]
SPLASH splash10-08fr-2409000000-4b3c03b898639244e349
Source of Spectrum F-53-2798-31
Wiley ID 800892