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Z,Z-6,26-Pentatriacontadien-2-one

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Z,Z-6,26-Pentatriacontadien-2-one
SpectraBase Compound ID 7DwaWrxO5NR
InChI InChI=1S/C35H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(2)36/h10-11,30-31H,3-9,12-29,32-34H2,1-2H3/b11-10+,31-30+
InChIKey OFLJFJTUEAYNIP-XPILCQMRSA-N
Mol Weight 502.9 g/mol
Molecular Formula C35H66O
Exact Mass 502.511367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LivCOUYYmgY
Name Z,Z-6,26-Pentatriacontadien-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.511366744 u
Formula C35H66O
InChI InChI=1S/C35H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(2)36/h10-11,30-31H,3-9,12-29,32-34H2,1-2H3/b11-10+,31-30+
InChIKey OFLJFJTUEAYNIP-XPILCQMRSA-N
Molecular Weight 502.912 g/mol
SMILES C(CCCCCCCCCCCCCCCCC\C=C\CCCC(C)=O)\C=C\CCCCCCCC