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Bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dimethanol,monocetate

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Bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dimethanol,monocetate
SpectraBase Compound ID CV7J7IexTFM
InChI InChI=1S/C11H16O3/c1-7(13)14-6-11-9-3-2-8(4-9)10(11)5-12/h2-3,8-12H,4-6H2,1H3/t8-,9+,10-,11-/m0/s1
InChIKey GRQPTGXDINMECF-VLEAKVRGSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSCcAZRsnRf
Name Bicyclo[2.2.1]hept-5-ene-endo-2,endo-3-dimethanol,monocetate
Comments Computed using HOSE algorithm
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Exact Mass 196.109944372 u
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7(13)14-6-11-9-3-2-8(4-9)10(11)5-12/h2-3,8-12H,4-6H2,1H3/t8-,9+,10-,11-/m0/s1
InChIKey GRQPTGXDINMECF-VLEAKVRGSA-N
Molecular Weight 196.246 g/mol
SMILES C=1[C@]2(C[C@@](C1)([C@@]([C@@]2(CO)[H])(COC(C)=O)[H])[H])[H]