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3,7,9-Trioxatetracyclo[3.3.1.02,4.06,8]nonane, cis-inositol deriv.
SpectraBase Compound ID 6lMZ8YqWY9X
InChI InChI=1S/C6H6O3/c7-1-2(7)6-4-3(8-4)5(1)9-6/h1-6H/t1-,2+,3+,4-,5+,6?
InChIKey VGAWCYFAZJFAKA-JQYHVWRRSA-N
Mol Weight 126.11 g/mol
Molecular Formula C6H6O3
Exact Mass 126.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UoWgVqCpWl
Name 3,7,9-Trioxatetracyclo[3.3.1.02,4.06,8]nonane, cis-inositol deriv.
CAS Registry Number 56598-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6O3
InChI InChI=1S/C6H6O3/c7-1-2(7)6-4-3(8-4)5(1)9-6/h1-6H/t1-,2+,3+,4-,5+,6?
InChIKey VGAWCYFAZJFAKA-JQYHVWRRSA-N
Molecular Weight 126.111 g/mol
SMILES [C@]12([C@@](C3O[C@]2([C@]2([C@]3([H])O2)[H])[H])([H])O1)[H]
SPLASH splash10-00ku-9000000000-0f88cdee2d86d5291880
Source of Spectrum K-119-604-12
Synonyms cis-Inositol, 1,2:3,6:4,5-trianhydro- (1.alpha.,2.alpha.,4.apha.,6.alpha.,8.alpha.)-3,7,9-trioxatetracyclo[3.3.1.0(2,4).0(6,8)]nonan (2R,4S,6R,8S)-3,7,9-trioxatetracyclo[3.3.1.0(2,4).0(6,8)]nonane
Wiley ID 1129729