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2-Hydroxy-1-(hydroxymethyl)ethyl (9E,12E,15E)-9,12,15-octadecatrienoate

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2-Hydroxy-1-(hydroxymethyl)ethyl (9E,12E,15E)-9,12,15-octadecatrienoate
SpectraBase Compound ID KJQ6HEAmiJ
InChI InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
InChIKey ZCCLDKGWJIREQF-PDBXOOCHSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HnAE97aFY5
Name 2-Hydroxy-1-(hydroxymethyl)ethyl (9E,12E,15E)-9,12,15-octadecatrienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
InChIKey ZCCLDKGWJIREQF-PDBXOOCHSA-N
Molecular Weight 352.515 g/mol
SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO