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3,6,10-Trioxatetracyclo[7.1.0.0(2,4).0(5,7)]decan-8-ol, acetate, (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.,9.alpha.)-
SpectraBase Compound ID BQ69A2eOYrA
InChI InChI=1S/C9H10O5/c1-2(10)11-3-4-6(12-4)8-9(14-8)7-5(3)13-7/h3-9H,1H3/t3-,4-,5+,6-,7+,8-,9+
InChIKey JZLOCDWZGCCDJH-UXUVJOAJSA-N
Mol Weight 198.17 g/mol
Molecular Formula C9H10O5
Exact Mass 198.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6t6qyvueHRS
Name 3,6,10-Trioxatetracyclo[7.1.0.0(2,4).0(5,7)]decan-8-ol, acetate, (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.,9.alpha.)-
CAS Registry Number 91383-35-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O5
InChI InChI=1S/C9H10O5/c1-2(10)11-3-4-6(12-4)8-9(14-8)7-5(3)13-7/h3-9H,1H3/t3-,4-,5+,6-,7+,8-,9+
InChIKey JZLOCDWZGCCDJH-UXUVJOAJSA-N
Molecular Weight 198.174 g/mol
SMILES [C@]12([C@@]([C@@]3([C@]([H])([C@]([C@@]4([C@]2(O4)[H])[H])(OC(=O)C)[H])O3)[H])([H])O1)[H]
SPLASH splash10-0089-9200000000-02b12f22809769596c4a
Source of Spectrum K-117-1827-0
Synonyms (1.alpha.,2.alpha.,4.alpha.,5.alpha.,7.alpha.,8.alpha.,9.alpha.)-3,6,10-trioxatetracyclo[7.1.0.0(2,4).0(5,7)]decan-8-ol-acetate (1R,2S,4R,5S,7S,9R)-3,6,10-trioxatetracyclo[7.1.0.0(2,4).0(5,7)]dec-8-yl acetate
Wiley ID 1195005