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(R)-2,2,3,4-Tetramethyl-5-oxocyclopent-3-en-1-yl)methyl acetate
SpectraBase Compound ID Kb3Ko1U2JIg
InChI InChI=1S/C12H18O3/c1-7-8(2)12(4,5)10(11(7)14)6-15-9(3)13/h10H,6H2,1-5H3/t10-/m1/s1
InChIKey WVVKWDHLSRFLPY-SNVBAGLBSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yqy8E1zTVu
Name (R)-2,2,3,4-Tetramethyl-5-oxocyclopent-3-en-1-yl)methyl acetate
Appearance Colorless syrup
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-7-8(2)12(4,5)10(11(7)14)6-15-9(3)13/h10H,6H2,1-5H3/t10-/m1/s1
InChIKey WVVKWDHLSRFLPY-SNVBAGLBSA-N
Instrument Name Micromass Autospec
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00501
Molecular Weight 210.273 g/mol
Optical Rotation [a]D = -7.9 (c = 1.0, CH2Cl2)
Reported Formula C12H18O3
SMILES C([C@]1(C(C(=C(C1=O)C)C)(C)C)[H])OC(C)=O
SPLASH splash10-0f79-0900000000-9f3f615f0179924e89e6
Source of Spectrum G4-79-SM8-2
Wiley ID 1849253