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3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-iodo-2-oxo-, methyl ester, (3.alpha.,3a.beta.,6.alpha.,7.beta.,7a.beta.,8R*)-
SpectraBase Compound ID A56pHGCReWV
InChI InChI=1S/C11H13IO4/c1-15-10(13)6-4-2-3-5-7(6)11(14)16-9(5)8(4)12/h4-9H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-/m0/s1
InChIKey OTAYXDIEENIOQJ-ZLFMKPOPSA-N
Mol Weight 336.13 g/mol
Molecular Formula C11H13IO4
Exact Mass 335.985854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vBeUJGexZp
Name 3,6-Methanobenzofuran-8-carboxylic acid, octahydro-7-iodo-2-oxo-, methyl ester, (3.alpha.,3a.beta.,6.alpha.,7.beta.,7a.beta.,8R*)-
Alternate Name(s) exo-5-iodo-endo-3-methoxycarbonylbicyclo[2.2.2]octane-2,6-carbolactone Methyl (1S,2R,3S,6S,7R,10R)-2-iodo-5-oxo-4-oxatricyclo[4.3.1.0(3,7)]decane-10-carboxylate
CAS Registry Number 80124-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13IO4
InChI InChI=1S/C11H13IO4/c1-15-10(13)6-4-2-3-5-7(6)11(14)16-9(5)8(4)12/h4-9H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-/m0/s1
InChIKey OTAYXDIEENIOQJ-ZLFMKPOPSA-N
Molecular Weight 336.125 g/mol
SMILES C1([C@]2([C@@]([C@@]3([H])[C@]([C@](O1)([H])[C@@]2(CC3)[H])(I)[H])(C(=O)OC)[H])[H])=O
SPLASH splash10-0a4i-0497000000-a1be03a5c68b010e882f
Source of Spectrum B-34-1724-0
Wiley ID 1331988