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Toluene-4-sulfonic acid, 2,2-dimethyl-4-(2-methyl-[1,3]dithian-2-ylmethyl)tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl ester
SpectraBase Compound ID 5A04tzNMrq8
InChI InChI=1S/C21H30O6S3/c1-14-6-8-15(9-7-14)30(22,23)27-17-13-24-16(12-21(4)28-10-5-11-29-21)18-19(17)26-20(2,3)25-18/h6-9,16-19H,5,10-13H2,1-4H3
InChIKey FKVIGDOMTTUFJS-UHFFFAOYSA-N
Mol Weight 474.65 g/mol
Molecular Formula C21H30O6S3
Exact Mass 474.120452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3TlNyRpudO
Name TOLUENE-4-SULFONIC ACID 2,2-DIMETHYL-4-(2-METHYL-[1,3]DITHIAN-2-YLMETHYL)-TETRAHYDRO-[1,3]DIOXOLO[4,5-C]PYRAN-7-YL ESTER
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Formula C21H30O6S3
InChI InChI=1S/C21H30O6S3/c1-14-6-8-15(9-7-14)30(22,23)27-17-13-24-16(12-21(4)28-10-5-11-29-21)18-19(17)26-20(2,3)25-18/h6-9,16-19H,5,10-13H2,1-4H3
InChIKey FKVIGDOMTTUFJS-UHFFFAOYSA-N
Molecular Weight 474.1197
SMILES C1C(OS(=O)(=O)c2ccc(C)cc2)C2OC(C)(C)OC2C(CC2(C)SCCCS2)O1
SPLASH splash10-001i-5900100000-736a6828aa1f96bab225
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany