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Tricyclo[4.2.1.0(2,5)]nonane-3,4-dicarboxylic acid, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.beta.,5.beta.,6.alpha.)-
SpectraBase Compound ID DgrWkgx0fqn
InChI InChI=1S/C13H18O4/c1-16-12(14)10-8-6-3-4-7(5-6)9(8)11(10)13(15)17-2/h6-11H,3-5H2,1-2H3
InChIKey CZTKAFISSKQCJH-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 832u11goLEI
Name Tricyclo[4.2.1.0(2,5)]nonane-3,4-dicarboxylic acid, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.beta.,5.beta.,6.alpha.)-
CAS Registry Number 13899-30-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-16-12(14)10-8-6-3-4-7(5-6)9(8)11(10)13(15)17-2/h6-11H,3-5H2,1-2H3
InChIKey CZTKAFISSKQCJH-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C12C(C3CC2CC3)C(C1C(=O)OC)C(=O)OC
SPLASH splash10-000i-0090000000-f77618ce808d73276b85
Source of Spectrum K-114-989-0
Synonyms Tricyclo[4.2.1.0(2,5)]nonane-3,4-dicarboxylic acid, dimethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.alpha.,6.alpha.)- dimethyl tricyclo[4.2.1.0(2,5)]nonane-3,4-dicarboxylate Dimethylester of endo-tricyclo[4.2.1.0(2,5)]nonan-3-exo,4-exo-dicarboxylic acid Dimethylester of exo-tricyclo[4.2.1.0(2,5)]nonan-3-endo,4-endo-dicarboxylic acid Tricyclo[4.2.1.0(2,5)]nonane-3,4-dicarboxylic acid, dimethyl ester, cis-endo- Tricyclo[4.2.1.0(2,5)]nonane-3,4-dicarboxylic acid, dimethyl ester, exo,cis-
Wiley ID 1240493