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2-Methyl-2-[(8R)-8-methyl-6-(phenylsulfonyl)undecyl]-1,3-dioxolane
SpectraBase Compound ID LTC7K2BteWS
InChI InChI=1S/C22H36O4S/c1-4-11-19(2)18-21(27(23,24)20-12-7-5-8-13-20)14-9-6-10-15-22(3)25-16-17-26-22/h5,7-8,12-13,19,21H,4,6,9-11,14-18H2,1-3H3/t19-,21?/m1/s1
InChIKey CLDOMYQBCWFBOO-YMBRHYMPSA-N
Mol Weight 396.6 g/mol
Molecular Formula C22H36O4S
Exact Mass 396.233431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXczxWFht2X
Name 2-Methyl-2-[(8R)-8-methyl-6-(phenylsulfonyl)undecyl]-1,3-dioxolane
Alternate Name(s) 2-[(8R)-6-(benzenesulfonyl)-8-methyl-undecyl]-2-methyl-1,3-dioxolane 2-[(8R)-6-besyl-8-methyl-undecyl]-2-methyl-1,3-dioxolane
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Formula C22H36O4S
InChI InChI=1S/C22H36O4S/c1-4-11-19(2)18-21(27(23,24)20-12-7-5-8-13-20)14-9-6-10-15-22(3)25-16-17-26-22/h5,7-8,12-13,19,21H,4,6,9-11,14-18H2,1-3H3/t19-,21?/m1/s1
InChIKey CLDOMYQBCWFBOO-YMBRHYMPSA-N
Molecular Weight 396.586 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C[C@@](CCC)(C)[H])CCCCCC1(OCCO1)C
SPLASH splash10-000i-9110000000-4d0ca8841d71561a376f
Source of Spectrum U-1995-1176-9
Wiley ID 767148