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(+)-TETRA-O-ACETYLCYCLOHEXANE-1,2,4/3-TETROL
SpectraBase Compound ID AyO37SHIMDb
InChI InChI=1S/C14H20O8/c1-7(15)19-11-5-6-12(20-8(2)16)14(22-10(4)18)13(11)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12+,13-,14-/m0/s1
InChIKey WHVQJMPOBXHCDR-CRWXNKLISA-N
Mol Weight 316.31 g/mol
Molecular Formula C14H20O8
Exact Mass 316.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kvpmE0ITlc
Name 1,2,3,4-Cyclohexanetetrol, tetraacetate, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 129745-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O8
InChI InChI=1S/C14H20O8/c1-7(15)19-11-5-6-12(20-8(2)16)14(22-10(4)18)13(11)21-9(3)17/h11-14H,5-6H2,1-4H3/t11-,12+,13-,14-/m0/s1
InChIKey WHVQJMPOBXHCDR-CRWXNKLISA-N
Molecular Weight 316.306 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)(CC[C@@]1(OC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-0ik9-2900000000-468c076fbb1ecf4d6ca8
Source of Spectrum H-73-167-0
Synonyms (+)-1D-Tera-O-actylcyclohexane-1,2,4/3-tetrol (1R,2S,3S,4S)-2,3,4-tris(acetyloxy)cyclohexyl acetate
Wiley ID 1316466