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4-Methylbenzenesulfonic acid (6-tosyloxy-2-adamantyl) ester

View entire compound with spectra: 3 MS (GC)

4-Methylbenzenesulfonic acid (6-tosyloxy-2-adamantyl) ester
SpectraBase Compound ID HHYG7ky9VH2
InChI InChI=1S/C24H28O6S2/c1-15-3-7-21(8-4-15)31(25,26)29-23-17-11-19-13-18(23)14-20(12-17)24(19)30-32(27,28)22-9-5-16(2)6-10-22/h3-10,17-20,23-24H,11-14H2,1-2H3/t17-,18+,19-,20+,23-,24?
InChIKey FLTIALSBTYRIDX-QUULWNAFSA-N
Mol Weight 476.6 g/mol
Molecular Formula C24H28O6S2
Exact Mass 476.132731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAuWbObOgsv
Name 4-Methylbenzenesulfonic acid (6-tosyloxy-2-adamantyl) ester
Alternate Name(s) Adamantane-2,6-diol, di(p-toluenesulfonate) 4-Methylbenzenesulfonic acid [6-(4-methylphenyl)sulfonyloxy-2-adamantyl] ester [6-(p-tolylsulfonyloxy)-2-adamantyl] 4-methylbenzenesulfonate
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Formula C24H28O6S2
InChI InChI=1S/C24H28O6S2/c1-15-3-7-21(8-4-15)31(25,26)29-23-17-11-19-13-18(23)14-20(12-17)24(19)30-32(27,28)22-9-5-16(2)6-10-22/h3-10,17-20,23-24H,11-14H2,1-2H3/t17-,18+,19-,20+,23-,24?
InChIKey FLTIALSBTYRIDX-QUULWNAFSA-N
Molecular Weight 476.602 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)[C@]2(C[C@@]3(C(OS(c4ccc(cc4)C)(=O)=O)[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H]
SPLASH splash10-000x-9700000000-3f712005caaf4d97496b
Wiley ID 1486294