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Malonic acid, 2-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-ylmethyl)-, diethyl ester (stereoisomer 1)
SpectraBase Compound ID Dp5kKZPPRpg
InChI InChI=1S/C17H26O5/c1-5-21-15(19)12(16(20)22-6-2)9-11-13-7-10(8-14(11)18)17(13,3)4/h10-13H,5-9H2,1-4H3
InChIKey QBICOIBHOUTTPV-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaaWS3y48qk
Name Malonic acid, 2-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-ylmethyl)-, diethyl ester (stereoisomer 1)
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-5-21-15(19)12(16(20)22-6-2)9-11-13-7-10(8-14(11)18)17(13,3)4/h10-13H,5-9H2,1-4H3
InChIKey QBICOIBHOUTTPV-UHFFFAOYSA-N
Molecular Weight 310.390 g/mol
SMILES CC1(C2C(C(CC1C2)=O)CC(C(=O)OCC)C(=O)OCC)C
SPLASH splash10-00kg-9720000000-526068f793c18325d9fa
Synonyms 2-[(3-keto-6,6-dimethyl-norpinan-2-yl)methyl]malonic acid diethyl ester 2-[(6,6-dimethyl-3-oxo-4-bicyclo[3.1.1]heptanyl)methyl]propanedioic acid diethyl ester Malonic acid, 2-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-ylmethyl)-, diethylester, (stereoisomer 2) Diethyl 2-[(6,6-dimethyl-3-oxo-4-bicyclo[3.1.1]heptanyl)methyl]propanedioate Diethyl 2-[(6,6-dimethyl-3-oxidanylidene-4-bicyclo[3.1.1]heptanyl)methyl]propanedioate Diethyl 2-[(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-yl)methyl]malonate Diethyl 2-[(6,6-dimethyl-3-oxo-norpinan-2-yl)methyl]propanedioate
Wiley ID 1491086