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2,3-Di[(E)-2-methyl-2-butenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate
SpectraBase Compound ID 3pXlXKogDDq
InChI InChI=1S/C31H50O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-24-28(37-31(34)27(5)8-3)25-36-30(33)26(4)7-2/h7-8,12-13,15-16,28H,6,9-11,14,17-25H2,1-5H3/b13-12-,16-15-,26-7+,27-8+
InChIKey LREMJYXNRCEDGA-MUHBVEBCSA-N
Mol Weight 518.7 g/mol
Molecular Formula C31H50O6
Exact Mass 518.360739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hLbLPoOhDv
Name 2,3-Di[(E)-2-methyl-2-butenoyloxy]propyl (9Z,12Z)-9,12-octadecadienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O6
InChI InChI=1S/C31H50O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)35-24-28(37-31(34)27(5)8-3)25-36-30(33)26(4)7-2/h7-8,12-13,15-16,28H,6,9-11,14,17-25H2,1-5H3/b13-12-,16-15-,26-7+,27-8+
InChIKey LREMJYXNRCEDGA-MUHBVEBCSA-N
Molecular Weight 518.735 g/mol
SMILES C(CCCCCCC\C=C/C\C=C/CCCCC)(=O)OCC(COC(\C(=C\C)C)=O)OC(\C(=C\C)C)=O
SPLASH splash10-001i-9010000000-27b8bceaee26af0bd8b5
Source of Spectrum F-68-8448-1e
Wiley ID 1717414