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FL1 [2,6,10-trimethyl-13-oxacyclotrideca-2,6,10-trien-1-one]
SpectraBase Compound ID 6UTMXKL6V94
InChI InChI=1S/C15H22O2/c1-12-6-4-7-13(2)10-11-17-15(16)14(3)9-5-8-12/h6,9-10H,4-5,7-8,11H2,1-3H3/b12-6+,13-10+,14-9+
InChIKey GWLJTGPEGXEMMP-QLOZGWRYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFQs8uMViN8
Name FL1 [2,6,10-Trimethyl-13-oxacyclotrideca-2,6,10-trien-1-one]
Comments Computed using HOSE algorithm
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Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-12-6-4-7-13(2)10-11-17-15(16)14(3)9-5-8-12/h6,9-10H,4-5,7-8,11H2,1-3H3/b12-6+,13-10+,14-9+
InChIKey GWLJTGPEGXEMMP-QLOZGWRYSA-N
Molecular Weight 234.339 g/mol
SMILES C1(\C(=C\CC\C(=C\CC\C(=C\CO1)C)C)C)=O