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E,E,E-14-Methyl-3,6,10-cyclopentadecatrien-1-one
SpectraBase Compound ID Xrp0Qalywz
InChI InChI=1S/C16H24O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h3,5-6,8-9,11,15H,2,4,7,10,12-14H2,1H3/b5-3-,8-6-,11-9-
InChIKey NZONKAIBCYSYIR-LJFLDRDWSA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GaErGvBcKg
Name E,E,E-14-Methyl-3,6,10-cyclopentadecatrien-1-one
Comments Computed using HOSE algorithm
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Exact Mass 232.182715392 u
Formula C16H24O
InChI InChI=1S/C16H24O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h3,5-6,8-9,11,15H,2,4,7,10,12-14H2,1H3/b5-3-,8-6-,11-9-
InChIKey NZONKAIBCYSYIR-LJFLDRDWSA-N
Molecular Weight 232.367 g/mol
SMILES C1(=O)CC(CC\C=C/CC\C=C/C\C=C/C1)C