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12,13-Dioxatricyclo[7.3.1.0(1,6)]tridecane-8-carboxylic acid, 6-methyl-5-{[(4-methylphenyl)sulfonyl]oxy}
SpectraBase Compound ID CN1NhyC67yj
InChI InChI=1S/C20H26O7S/c1-13-5-7-14(8-6-13)28(23,24)27-17-4-3-10-20-19(17,2)12-15(18(21)22)16(26-20)9-11-25-20/h5-8,15-17H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKey UEZVSBYYJVUWGF-UHFFFAOYSA-N
Mol Weight 410.48 g/mol
Molecular Formula C20H26O7S
Exact Mass 410.139924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bxq6Xmr7g
Name 12,13-Dioxatricyclo[7.3.1.0(1,6)]tridecane-8-carboxylic acid, 6-methyl-5-{[(4-methylphenyl)sulfonyl]oxy}
Alternate Name(s) 6-Methyl-5-(toluene-4-sulfonyloxy)-12,13-dioxa-tricyclo[7.3.1.0(1,6)]tridecane-8-carboxylic acid 6-Methyl-5-{[(4-methylphenyl)sulfonyl]oxy}-12,13-dioxatricyclo[7.3.1.0(1,6)]tridecane-8-carboxylic acid
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Formula C20H26O7S
InChI InChI=1S/C20H26O7S/c1-13-5-7-14(8-6-13)28(23,24)27-17-4-3-10-20-19(17,2)12-15(18(21)22)16(26-20)9-11-25-20/h5-8,15-17H,3-4,9-12H2,1-2H3,(H,21,22)
InChIKey UEZVSBYYJVUWGF-UHFFFAOYSA-N
Molecular Weight 410.481 g/mol
SMILES OC(C1C2CCOC3(CCCC(OS(c4ccc(C)cc4)(=O)=O)C3(C)C1)O2)=O
SPLASH splash10-006x-9730000000-5a71cc9764349f3586b0
Wiley ID 1477719