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(3E)-3-[2-[(1R)-2,2-dimethyl-6-methylene-cyclohexyl]ethylidene]tetrahydrofuran-2-one
SpectraBase Compound ID 20n1XSOg9fp
InChI InChI=1S/C15H22O2/c1-11-5-4-9-15(2,3)13(11)7-6-12-8-10-17-14(12)16/h6,13H,1,4-5,7-10H2,2-3H3/b12-6+/t13-/m0/s1
InChIKey NXLLBYJRCKRKNN-UWUHSAQLSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKxw42D6zAr
Name (3E)-3-[2-[(1R)-2,2-Dimethyl-6-methylene-cyclohexyl]ethylidene]tetrahydrofuran-2-one
Comments Computed using HOSE algorithm
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Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-11-5-4-9-15(2,3)13(11)7-6-12-8-10-17-14(12)16/h6,13H,1,4-5,7-10H2,2-3H3/b12-6+/t13-/m0/s1
InChIKey NXLLBYJRCKRKNN-UWUHSAQLSA-N
Molecular Weight 234.339 g/mol
SMILES C1(\C(=C\C[C@]2(C(=C)CCCC2(C)C)[H])CCO1)=O