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2-Propanone,1-(2-cyclohexen-1-yloxy)-acetone
SpectraBase Compound ID FeL9H1oBkuT
InChI InChI=1S/C9H14O2/c1-8(10)7-11-9-5-3-2-4-6-9/h3,5,9H,2,4,6-7H2,1H3
InChIKey MQFBJVJDSIXNHY-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HSaCumDQIg
Name 2-Propanone,1-(2-cyclohexen-1-yloxy)-acetone
Comments Computed using HOSE algorithm
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Exact Mass 154.099379689 u
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-8(10)7-11-9-5-3-2-4-6-9/h3,5,9H,2,4,6-7H2,1H3
InChIKey MQFBJVJDSIXNHY-UHFFFAOYSA-N
Molecular Weight 154.209 g/mol
SMILES C1=CCCCC1OCC(=O)C