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5-[2-(Benzyloxy)ethyl]cyclohex-2-en-1-one
SpectraBase Compound ID ECzHlR9NIIv
InChI InChI=1S/C15H18O2/c16-15-8-4-7-13(11-15)9-10-17-12-14-5-2-1-3-6-14/h1-6,8,13H,7,9-12H2
InChIKey IGWZGCAUNMICGR-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmPqEZ2Olr8
Name 5-[2-(Benzyloxy)ethyl]cyclohex-2-en-1-one
Comments Computed using HOSE algorithm
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Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c16-15-8-4-7-13(11-15)9-10-17-12-14-5-2-1-3-6-14/h1-6,8,13H,7,9-12H2
InChIKey IGWZGCAUNMICGR-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C=1C(CC(CC1)CCOCC1=CC=CC=C1)=O