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Z,Z-6,28-Heptatriactontadien-2-one

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Z,Z-6,28-Heptatriactontadien-2-one
SpectraBase Compound ID 7fI2s7dk0HX
InChI InChI=1S/C37H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h10-11,32-33H,3-9,12-31,34-36H2,1-2H3/b11-10-,33-32-
InChIKey CAULISZETWALPH-NINRRXIWSA-N
Mol Weight 531.0 g/mol
Molecular Formula C37H70O
Exact Mass 530.542667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaIu9GeYMDi
Name Z,Z-6,28-Heptatriactontadien-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.542666873 u
Formula C37H70O
InChI InChI=1S/C37H70O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h10-11,32-33H,3-9,12-31,34-36H2,1-2H3/b11-10-,33-32-
InChIKey CAULISZETWALPH-NINRRXIWSA-N
Molecular Weight 530.966 g/mol
SMILES C(\C=C/CCCCCCCCCCCCCCCCCCCC\C=C/CCCC(C)=O)CCCCCCC