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2,4,6,8,10-Dodecapentaenoic acid, 2,6,11-trimethyl-12-oxo-, methyl ester, (all-E)-

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2,4,6,8,10-Dodecapentaenoic acid, 2,6,11-trimethyl-12-oxo-, methyl ester, (all-E)-
SpectraBase Compound ID LPdWFzWF4lf
InChI InChI=1S/C16H20O3/c1-13(8-5-6-9-14(2)12-17)10-7-11-15(3)16(18)19-4/h5-12H,1-4H3/b6-5+,10-7+,13-8+,14-9+,15-11+
InChIKey OXWIJVWTXGMZHW-SSMQVYQGSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uSBuL2ZjJU
Name 2,4,6,8,10-Dodecapentaenoic acid, 2,6,11-trimethyl-12-oxo-, methyl ester, (all-E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.141244501 u
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-13(8-5-6-9-14(2)12-17)10-7-11-15(3)16(18)19-4/h5-12H,1-4H3/b6-5+,10-7+,13-8+,14-9+,15-11+
InChIKey OXWIJVWTXGMZHW-SSMQVYQGSA-N
Molecular Weight 260.333 g/mol
SMILES C(\C(=C\C=C\C(=C\C=C\C=C\(C=O)C)C)C)(=O)OC