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EXO-3-CARBOXYL-ENDO-5-HYDROXYBICYCLO-[2.2.2]-OCTANE-2,6-CARBOLACTONE
SpectraBase Compound ID 4eeObfz9i0S
InChI InChI=1S/C11H14O5/c1-15-10(13)6-4-2-3-5-7(6)11(14)16-9(5)8(4)12/h4-9,12H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-/m0/s1
InChIKey ARUWEHXWNYATAW-ZLFMKPOPSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I72v3kTPFLx
Name 3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-hydroxy-2-oxo-, methyl ester, (3.alpha.,3a.beta.,6.alpha.,7.beta.,7a.beta.,8S*)-(.+-.)-
Alternate Name(s) Methyl (1S,2R,3S,6S,7R,10S)-2-hydroxy-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylate Methylester of endo-3-carboxy-exo-5-hydroxybicyclo[2.2.2]octane-2,6-carbolactone
CAS Registry Number 79813-46-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-15-10(13)6-4-2-3-5-7(6)11(14)16-9(5)8(4)12/h4-9,12H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-/m0/s1
InChIKey ARUWEHXWNYATAW-ZLFMKPOPSA-N
Molecular Weight 226.228 g/mol
SMILES O[C@]1([C@]2(OC([C@]3([C@@]([C@]1([H])CC[C@@]23[H])(C(=O)OC)[H])[H])=O)[H])[H]
SPLASH splash10-0002-9500000000-af29ee0c2b3a13549197
Source of Spectrum B-34-1294-0
Wiley ID 1227050