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(1S,2R,4R,8S)-2-formyl-2,4-dimethoxy-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid tert-butyl ester
SpectraBase Compound ID HovyLm3BJXL
InChI InChI=1S/C16H22O6/c1-14(2,3)22-12(18)11-8-10-6-7-15(11,20-4)13(19)16(10,9-17)21-5/h6-7,9-11H,8H2,1-5H3/t10-,11-,15-,16+/m1/s1
InChIKey YQAMEWWPTKZMFA-WVATUKLVSA-N
Mol Weight 310.35 g/mol
Molecular Formula C16H22O6
Exact Mass 310.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AMj8wmeb7L
Name (1S,2R,4R,8S)-2-formyl-2,4-dimethoxy-3-oxo-8-bicyclo[2.2.2]oct-5-enecarboxylic acid tert-butyl ester
Alternate Name(s) (1S,2R,4R,8S)-2-formyl-3-keto-2,4-dimethoxy-bicyclo[2.2.2]oct-5-ene-8-carboxylic acid tert-butyl ester tert-butyl (1S,2R,4R,8S)-2-formyl-2,4-dimethoxy-3-oxo-bicyclo[2.2.2]oct-5-ene-8-carboxylate tert-butyl (1S,2R,4R,8S)-2-methanoyl-2,4-dimethoxy-3-oxidanylidene-bicyclo[2.2.2]oct-5-ene-8-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O6
InChI InChI=1S/C16H22O6/c1-14(2,3)22-12(18)11-8-10-6-7-15(11,20-4)13(19)16(10,9-17)21-5/h6-7,9-11H,8H2,1-5H3/t10-,11-,15-,16+/m1/s1
InChIKey YQAMEWWPTKZMFA-WVATUKLVSA-N
Molecular Weight 310.346 g/mol
SMILES [C@@]12([C@@](C(OC(C)(C)C)=O)(C[C@@](C=C2)([C@](C1=O)(C=O)OC)[H])[H])OC
SPLASH splash10-004i-0090000000-c0629662f563c16a263c
Source of Spectrum KC-0-569-20
Wiley ID 787491