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[(4S,5R)-2,2-dimethyl-5-[(E)-2-(phenylsulfonyl)ethenyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID 16I12JRsPa6
InChI InChI=1S/C21H24O7S2/c1-16-9-11-18(12-10-16)30(24,25)26-15-20-19(27-21(2,3)28-20)13-14-29(22,23)17-7-5-4-6-8-17/h4-14,19-20H,15H2,1-3H3/b14-13+/t19-,20+/m1/s1
InChIKey QNXRYJKWYABKQQ-ICSRWYNCSA-N
Mol Weight 452.54 g/mol
Molecular Formula C21H24O7S2
Exact Mass 452.096345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ua4m7JUrrM
Name [(4S,5R)-2,2-dimethyl-5-[(E)-2-(phenylsulfonyl)ethenyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
Alternate Name(s) [(4S,5R)-5-[(E)-2-(benzenesulfonyl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate [(4S,5R)-5-[(E)-2-(benzenesulfonyl)vinyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(4S,5R)-5-[(E)-2-(benzenesulfonyl)ethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
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Formula C21H24O7S2
InChI InChI=1S/C21H24O7S2/c1-16-9-11-18(12-10-16)30(24,25)26-15-20-19(27-21(2,3)28-20)13-14-29(22,23)17-7-5-4-6-8-17/h4-14,19-20H,15H2,1-3H3/b14-13+/t19-,20+/m1/s1
InChIKey QNXRYJKWYABKQQ-ICSRWYNCSA-N
Molecular Weight 452.536 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]1(OC(C)(C)O[C@@]1(\C=C\S(=O)(=O)c1ccccc1)[H])[H]
SPLASH splash10-03fr-0000900000-94f7f034f2b538d40f06
Source of Spectrum KD-13-643-7
Wiley ID 1635147