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Bicyclo[6.2.2]dodeca-1(11),9-diene-9,10-dicarboxylic acid, 8,12-dihydroxy-, diethyl ester, (8R*,12S*)-
SpectraBase Compound ID FKENyAWPmwr
InChI InChI=1S/C18H26O6/c1-3-23-16(20)14-12-9-7-5-6-8-10-18(22,13(19)11-12)15(14)17(21)24-4-2/h11,13,19,22H,3-10H2,1-2H3/t13-,18-/m0/s1
InChIKey KMLPVXIXMAXSCW-UGSOOPFHSA-N
Mol Weight 338.4 g/mol
Molecular Formula C18H26O6
Exact Mass 338.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcPQnRfsChX
Name Bicyclo[6.2.2]dodeca-1(11),9-diene-9,10-dicarboxylic acid, 8,12-dihydroxy-, diethyl ester, (8R*,12S*)-
Alternate Name(s) cis-8,12-dihydroxybicyclo[6.2.2]dodeca-1(11),9-dien-9,10-dicarbonsaure-diethylester diethyl (8R,12S)-8,12-dihydroxybicyclo[6.2.2]dodeca-1(11),9-diene-9,10-dicarboxylate
CAS Registry Number 87241-47-2
Comments Less than 3 mono-isotopic peaks
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Formula C18H26O6
InChI InChI=1S/C18H26O6/c1-3-23-16(20)14-12-9-7-5-6-8-10-18(22,13(19)11-12)15(14)17(21)24-4-2/h11,13,19,22H,3-10H2,1-2H3/t13-,18-/m0/s1
InChIKey KMLPVXIXMAXSCW-UGSOOPFHSA-N
Molecular Weight 338.400 g/mol
SMILES O[C@]1(C=C2C(=C([C@@]1(CCCCCC2)O)C(=O)OCC)C(=O)OCC)[H]
SPLASH splash10-0002-0092000000-8f3ab7576ca151a92a28
Source of Spectrum K-118-4165-3
Wiley ID 1333667