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Cyclooctanone, 2-(2-hydroxy-2-phenylethyl)-, (R*,R*)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Cyclooctanone, 2-(2-hydroxy-2-phenylethyl)-, (R*,R*)-
SpectraBase Compound ID KNZUbFJtsGP
InChI InChI=1S/C16H22O2/c17-15-11-7-2-1-4-10-14(15)12-16(18)13-8-5-3-6-9-13/h3,5-6,8-9,14,16,18H,1-2,4,7,10-12H2/t14-,16-/m1/s1
InChIKey CLIJKOMBPZTXPK-GDBMZVCRSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hL61s1cIOZ
Name Cyclooctanone, 2-(2-hydroxy-2-phenylethyl)-, (R*,R*)-
Comments Computed using HOSE algorithm
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Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c17-15-11-7-2-1-4-10-14(15)12-16(18)13-8-5-3-6-9-13/h3,5-6,8-9,14,16,18H,1-2,4,7,10-12H2/t14-,16-/m1/s1
InChIKey CLIJKOMBPZTXPK-GDBMZVCRSA-N
Molecular Weight 246.350 g/mol
SMILES C([C@@]1(C(=O)CCCCCC1)[H])[C@](C1=CC=CC=C1)(O)[H]