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7-Oxabicyclo[2.2.1]hept-5-ene-1,2,3-trimethanol, trimethanesulfonate, (exo,exo)-(.+-.)-
SpectraBase Compound ID 4Sh26lZKFMF
InChI InChI=1S/C12H20O10S3/c1-23(13,14)19-6-9-10(7-20-24(2,15)16)12(5-4-11(9)22-12)8-21-25(3,17)18/h4-5,9-11H,6-8H2,1-3H3/t9?,10?,11-,12+/m0/s1
InChIKey XQKHPGYRJAZGEG-MMVSWEMESA-N
Mol Weight 420.46 g/mol
Molecular Formula C12H20O10S3
Exact Mass 420.02186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TnSK2olynH
Name 7-Oxabicyclo[2.2.1]hept-5-ene-1,2,3-trimethanol, trimethanesulfonate, (exo,exo)-(.+-.)-
Alternate Name(s) (1,3-bis{[(methylsulfonyl)oxy]methyl}-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methyl methanesulfonate 7-Oxabicyclo[2.2.1]hept-5-ene-1,2-exo,3-exo-trimethyl trimethanesulfonate
CAS Registry Number 126227-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O10S3
InChI InChI=1S/C12H20O10S3/c1-23(13,14)19-6-9-10(7-20-24(2,15)16)12(5-4-11(9)22-12)8-21-25(3,17)18/h4-5,9-11H,6-8H2,1-3H3/t9?,10?,11-,12+/m0/s1
InChIKey XQKHPGYRJAZGEG-MMVSWEMESA-N
Molecular Weight 420.462 g/mol
SMILES [C@]12(C(C(COS(=O)(=O)C)[C@@](O2)(C=C1)[H])COS(=O)(=O)C)COS(=O)(=O)C
SPLASH splash10-002b-9100000000-7685a204e573dc4ec026
Source of Spectrum H-72-913-11
Wiley ID 1377730