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Bicyclo[3.2.1]octane-6,7-dicarboxylic acid, 8-hydroxy-2-oxo-, dimethyl ester, (6-exo,7-endo,8-anti)-(.+-.)-
SpectraBase Compound ID AuDiZYnJTA4
InChI InChI=1S/C12H16O6/c1-17-11(15)7-5-3-4-6(13)8(10(5)14)9(7)12(16)18-2/h5,7-10,14H,3-4H2,1-2H3/t5-,7?,8+,9?,10?/m1/s1
InChIKey NONJRNJHFIMGBQ-TYWJLSFPSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f4FSPCYg2V
Name Bicyclo[3.2.1]octane-6,7-dicarboxylic acid, 8-hydroxy-2-oxo-, dimethyl ester, (6-exo,7-endo,8-anti)-(.+-.)-
CAS Registry Number 119756-30-8
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-17-11(15)7-5-3-4-6(13)8(10(5)14)9(7)12(16)18-2/h5,7-10,14H,3-4H2,1-2H3/t5-,7?,8+,9?,10?/m1/s1
InChIKey NONJRNJHFIMGBQ-TYWJLSFPSA-N
Molecular Weight 256.254 g/mol
SMILES OC1[C@]2(C(C([C@@]1(C(CC2)=O)[H])C(=O)OC)C(=O)OC)[H]
SPLASH splash10-001i-0930000000-fdc79bf707312d083aae
Source of Spectrum F-44-3937-7
Synonyms Dimethyl 8(SR)-hydroxybicyclo[3.2.1]octan-5-one-2(RS),3(RS)-dicarboxylate dimethyl 8-hydroxy-2-oxobicyclo[3.2.1]octane-6,7-dicarboxylate
Wiley ID 1259415