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Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-hydroxy-6-iodo-, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.beta.,6.alpha.)-
SpectraBase Compound ID 4pxGz2BBJIp
InChI InChI=1S/C12H17IO5/c1-17-11(15)7-5-3-4-6(10(14)9(5)13)8(7)12(16)18-2/h5-10,14H,3-4H2,1-2H3/t5-,6+,7+,8-,9-,10-/m1/s1
InChIKey ZDNIYMHMKMDKDL-SWKORFGHSA-N
Mol Weight 368.17 g/mol
Molecular Formula C12H17IO5
Exact Mass 368.012069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4X765NiKnn
Name Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-hydroxy-6-iodo-, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.beta.,6.alpha.)-
Alternate Name(s) Dimethyl (1R,2R,3R,4S,5R,6R)-5-hydroxy-6-iodobicyclo[2.2.2]octane-2,3-dicarboxylate Dimethyl endo-5-hydroxy-exo-6-iodobicyclo[2.2.2]octane-endo-2,endo-3-dicarboxylate
CAS Registry Number 80060-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17IO5
InChI InChI=1S/C12H17IO5/c1-17-11(15)7-5-3-4-6(10(14)9(5)13)8(7)12(16)18-2/h5-10,14H,3-4H2,1-2H3/t5-,6+,7+,8-,9-,10-/m1/s1
InChIKey ZDNIYMHMKMDKDL-SWKORFGHSA-N
Molecular Weight 368.167 g/mol
SMILES O[C@]1([C@@]([C@]2([C@@]([C@@]([C@]1([H])CC2)(C(=O)OC)[H])(C(=O)OC)[H])[H])(I)[H])[H]
SPLASH splash10-0pb9-0095000000-1de7e497f360b2922018
Source of Spectrum B-34-1727-0
Wiley ID 1352727