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3-[2-(1-Cyclohexenyl)ethyl]-1-cyclopent-2-enone
SpectraBase Compound ID 5iUelfpj0fY
InChI InChI=1S/C13H18O/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h4,10H,1-3,5-9H2
InChIKey OOMMIFWTUXZIPG-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C05z6mNP1fP
Name 3-[2-(1-Cyclohexenyl)ethyl]-1-cyclopent-2-enone
Comments Computed using HOSE algorithm
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Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h4,10H,1-3,5-9H2
InChIKey OOMMIFWTUXZIPG-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C1=C(CCC2=CCCCC2)CCC1=O