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Bicyclo[2.2.2]oct-5-ene-2,3-dimethanol, bis(4-methylbenzenesulfonate), (1.alpha.,2.beta.,3.beta.,4.alpha.)-
SpectraBase Compound ID 6DdljyQxQCb
InChI InChI=1S/C24H28O6S2/c1-17-3-11-21(12-4-17)31(25,26)29-15-23-19-7-9-20(10-8-19)24(23)16-30-32(27,28)22-13-5-18(2)6-14-22/h3-7,9,11-14,19-20,23-24H,8,10,15-16H2,1-2H3/t19-,20+,23-,24+
InChIKey MCGWPULGHRSVOO-GKIBHXGMSA-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 4BRgakICQ4t
Name Bicyclo[2.2.2]oct-5-ene-2,3-dimethanol, bis(4-methylbenzenesulfonate), (1.alpha.,2.beta.,3.beta.,4.alpha.)-
CAS Registry Number 81872-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O6S2
InChI InChI=1S/C24H28O6S2/c1-17-3-11-21(12-4-17)31(25,26)29-15-23-19-7-9-20(10-8-19)24(23)16-30-32(27,28)22-13-5-18(2)6-14-22/h3-7,9,11-14,19-20,23-24H,8,10,15-16H2,1-2H3/t19-,20+,23-,24+
InChIKey MCGWPULGHRSVOO-GKIBHXGMSA-N
Molecular Weight 476.602 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]1([C@](COS(c2ccc(cc2)C)(=O)=O)([C@]2([H])C=C[C@]1(CC2)[H])[H])[H]
SPLASH splash10-0fsl-2910000000-d5767f15230ea113ecfc
Source of Spectrum H-65-183-0
Synonyms Bicyclo[2.2.2]oct-5-ene-2endo,3endo-dimethyl bis(p-toluenesulfonate) [(1R,2S,3R,4S)-3-({[(4-methylphenyl)sulfonyl]oxy}methyl)bicyclo[2.2.2]oct-5-en-2-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1394258