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(9Z,12Z,15Z)-(E)-3,7-Dimethylocta-2,6-dien-1-yl octadeca-9,12,15-trienoate

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(9Z,12Z,15Z)-(E)-3,7-Dimethylocta-2,6-dien-1-yl octadeca-9,12,15-trienoate
SpectraBase Compound ID JCyA5mcMowF
InChI InChI=1S/C28H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h6-7,9-10,12-13,21,24H,5,8,11,14-20,22-23,25H2,1-4H3/b7-6-,10-9-,13-12-,27-24+
InChIKey XGCMITBQDORUDF-ZKYCGLNMSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dPD2P9XEXp
Name (9Z,12Z,15Z)-(E)-3,7-Dimethylocta-2,6-dien-1-yl octadeca-9,12,15-trienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.349780719 u
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h6-7,9-10,12-13,21,24H,5,8,11,14-20,22-23,25H2,1-4H3/b7-6-,10-9-,13-12-,27-24+
InChIKey XGCMITBQDORUDF-ZKYCGLNMSA-N
Molecular Weight 414.674 g/mol
SMILES C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC\C=C\(CCC=C(C)C)C