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Bicyclo[3.1.1]hept-2-ene-3-carboxylic acid, 6,6-dimethyl-4-oxo-, ethyl ester, (1R)-
SpectraBase Compound ID vMnCK61SDd
InChI InChI=1S/C12H16O3/c1-4-15-11(14)8-5-7-6-9(10(8)13)12(7,2)3/h5,7,9H,4,6H2,1-3H3/t7-,9?/m0/s1
InChIKey VENBMVSETCBBAL-JAVCKPHESA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrkqNX0YBeA
Name Bicyclo[3.1.1]hept-2-ene-3-carboxylic acid, 6,6-dimethyl-4-oxo-, ethyl ester, (1R)-
Alternate Name(s) Ethyl (1R)-6,6-dimethyl-4-oxobicyclo[3.1.1]hept-2-ene-3-carboxylate Ethyl 6,6-di-methyl-2-oxobicyclo[3.1.1]heptane-3-carboxylate
CAS Registry Number 96291-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-4-15-11(14)8-5-7-6-9(10(8)13)12(7,2)3/h5,7,9H,4,6H2,1-3H3/t7-,9?/m0/s1
InChIKey VENBMVSETCBBAL-JAVCKPHESA-N
Molecular Weight 208.257 g/mol
SMILES C=1(C(C2C[C@](C1)(C2(C)C)[H])=O)C(=O)OCC
SPLASH splash10-07i6-7900000000-8e699bff5f9914890901
Source of Spectrum J-50-1909-0
Wiley ID 1206902