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Propanoic acid, 3-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-yl)-2,2-dimethyl-, ethyl ester, isomer 1
SpectraBase Compound ID KzdOpqmhX50
InChI InChI=1S/C16H26O3/c1-6-19-14(18)15(2,3)9-11-12-7-10(8-13(11)17)16(12,4)5/h10-12H,6-9H2,1-5H3
InChIKey INIPJBKUSACMDQ-UHFFFAOYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rs8B9Nmpb7
Name Propanoic acid, 3-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-yl)-2,2-dimethyl-, ethyl ester, isomer 1
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Formula C16H26O3
InChI InChI=1S/C16H26O3/c1-6-19-14(18)15(2,3)9-11-12-7-10(8-13(11)17)16(12,4)5/h10-12H,6-9H2,1-5H3
InChIKey INIPJBKUSACMDQ-UHFFFAOYSA-N
Molecular Weight 266.381 g/mol
SMILES CC1(C2C(C(CC1C2)=O)CC(C)(C(OCC)=O)C)C
SPLASH splash10-014j-7900000000-f34a54830b4fe46bffb4
Synonyms 3-(3-keto-6,6-dimethyl-norpinan-2-yl)-2,2-dimethyl-propionic acid ethyl ester 3-(6,6-dimethyl-3-oxo-4-bicyclo[3.1.1]heptanyl)-2,2-dimethylpropanoic acid ethyl ester Ethyl 3-(6,6-dimethyl-3-oxidanylidene-4-bicyclo[3.1.1]heptanyl)-2,2-dimethyl-propanoate Ethyl 3-(6,6-dimethyl-3-oxo-4-bicyclo[3.1.1]heptanyl)-2,2-dimethylpropanoate Ethyl 3-(6,6-dimethyl-3-oxo-norpinan-2-yl)-2,2-dimethyl-propanoate Ethyl 3-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-yl)-2,2-dimethylpropanoate Propanoic acid, 3-(6,6-dimethyl-3-oxobicyclo[3.1.1]hept-2-yl)-2,2-dimethyl-, ethyl ester, isomer 2
Wiley ID 1491061