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Z,Z-6,27-Hexatriactontadien-2-one

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Z,Z-6,27-Hexatriactontadien-2-one
SpectraBase Compound ID JmvFN8GBrcp
InChI InChI=1S/C36H68O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(2)37/h10-11,31-32H,3-9,12-30,33-35H2,1-2H3/b11-10-,32-31-
InChIKey QWCPCRXVALZCQQ-BJAPYPKRSA-N
Mol Weight 516.9 g/mol
Molecular Formula C36H68O
Exact Mass 516.527017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiDWVYE4QlE
Name Z,Z-6,27-Hexatriactontadien-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.527016809 u
Formula C36H68O
InChI InChI=1S/C36H68O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(2)37/h10-11,31-32H,3-9,12-30,33-35H2,1-2H3/b11-10-,32-31-
InChIKey QWCPCRXVALZCQQ-BJAPYPKRSA-N
Molecular Weight 516.939 g/mol
SMILES C(\C=C/CCCCCCCCCCCCCCCCCCC\C=C/CCCC(C)=O)CCCCCCC