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(2-Acetyloxy-3,6-diphenylcyclohexyl) acetate
SpectraBase Compound ID 2ErL3EaEGtb
InChI InChI=1S/C22H24O4/c1-15(23)25-21-19(17-9-5-3-6-10-17)13-14-20(22(21)26-16(2)24)18-11-7-4-8-12-18/h3-12,19-22H,13-14H2,1-2H3
InChIKey FUSHLLXGTXLRMJ-UHFFFAOYSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GI1X27XgMMm
Name (2-Acetyloxy-3,6-diphenylcyclohexyl) acetate
Comments Computed using HOSE algorithm
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Exact Mass 352.167459249 u
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-15(23)25-21-19(17-9-5-3-6-10-17)13-14-20(22(21)26-16(2)24)18-11-7-4-8-12-18/h3-12,19-22H,13-14H2,1-2H3
InChIKey FUSHLLXGTXLRMJ-UHFFFAOYSA-N
Molecular Weight 352.430 g/mol
SMILES C(C)(=O)OC1C(C(CCC1C1=CC=CC=C1)C1=CC=CC=C1)OC(=O)C