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(E)-3,7-Dimethylocta-2,6-dien-1-yl stearate

View entire compound with spectra: 1 NMR, and 1 FTIR

(E)-3,7-Dimethylocta-2,6-dien-1-yl stearate
SpectraBase Compound ID IWFByIhfpEl
InChI InChI=1S/C28H52O2/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/h21,24H,5-20,22-23,25H2,1-4H3/b27-24+
InChIKey ILBHDXCOZDEXGP-SOYKGTTHSA-N
Mol Weight 420.7 g/mol
Molecular Formula C28H52O2
Exact Mass 420.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IxiODld2cuG
Name (E)-3,7-Dimethylocta-2,6-dien-1-yl stearate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.396730912 u
Formula C28H52O2
InChI InChI=1S/C28H52O2/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/h21,24H,5-20,22-23,25H2,1-4H3/b27-24+
InChIKey ILBHDXCOZDEXGP-SOYKGTTHSA-N
Molecular Weight 420.722 g/mol
SMILES C(CCCCCCCCCCCCCCCCC)(=O)OC\C=C\(CCC=C(C)C)C