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9,12,15-Octadecatrienoic acid, 2,3-bis(acetyloxy)propyl ester, (Z,Z,Z)-

View entire compound with spectra: 1 NMR, and 4 MS (GC)

9,12,15-Octadecatrienoic acid, 2,3-bis(acetyloxy)propyl ester, (Z,Z,Z)-
SpectraBase Compound ID 8NOu7wD0TPs
InChI InChI=1S/C25H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h5-6,8-9,11-12,24H,4,7,10,13-21H2,1-3H3/b6-5+,9-8+,12-11+
InChIKey JQOMERQMQGDKLK-XSHSMGBESA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7MHmbeAedZ
Name 1-Linolenic acid-sn-glyceryl ester-2,3-diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.282489002 u
Formula C25H40O6
InChI InChI=1S/C25H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h5-6,8-9,11-12,24H,4,7,10,13-21H2,1-3H3/b6-5+,9-8+,12-11+
InChIKey JQOMERQMQGDKLK-XSHSMGBESA-N
Molecular Weight 436.589 g/mol
SMILES CC(=O)OCC(OC(=O)C)COC(=O)CCCCCCC\C=C\C\C=C\C\C=C\CC