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Tricyclo[3.1.0.0(2,6)]hexane-3,4-diol, bis(4-methylbenzenesulfonate), cis-
SpectraBase Compound ID 3N7YvXCt2pC
InChI InChI=1S/C20H20O6S2/c1-11-3-7-13(8-4-11)27(21,22)25-19-17-15-16(17)18(15)20(19)26-28(23,24)14-9-5-12(2)6-10-14/h3-10,15-20H,1-2H3/t15-,16?,17-,18?,19?,20?/m0/s1
InChIKey GJLFTDQHCHJUFT-HTCLELSFSA-N
Mol Weight 420.49 g/mol
Molecular Formula C20H20O6S2
Exact Mass 420.070131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzVHVja0ryM
Name Tricyclo[3.1.0.0(2,6)]hexane-3,4-diol, bis(4-methylbenzenesulfonate), cis-
Alternate Name(s) 4-{[(4-methylphenyl)sulfonyl]oxy}tricyclo[3.1.0.0(2,6)]hex-3-yl 4-methylbenzenesulfonate Bis-p-toluolsulfonic acid ester of cis-tricyclo[3.1.0.0(2,6)]hexane-3,4-diol
CAS Registry Number 93099-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O6S2
InChI InChI=1S/C20H20O6S2/c1-11-3-7-13(8-4-11)27(21,22)25-19-17-15-16(17)18(15)20(19)26-28(23,24)14-9-5-12(2)6-10-14/h3-10,15-20H,1-2H3/t15-,16?,17-,18?,19?,20?/m0/s1
InChIKey GJLFTDQHCHJUFT-HTCLELSFSA-N
Molecular Weight 420.494 g/mol
SMILES [C@]12(C3[C@]2(C(OS(c2ccc(cc2)C)(=O)=O)C(C13)OS(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-0006-9100000000-8b83642447533700cb92
Source of Spectrum K-117-2979-0
Wiley ID 1377839