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[1-(acetoxymethyl)-2-hexadecanoyloxy-ethyl] octadec-9-enoate
SpectraBase Compound ID J9JVoN6ZkQ1
InChI InChI=1S/C39H72O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h18-19,37H,4-17,20-35H2,1-3H3
InChIKey BFGDEKPANYJEBP-UHFFFAOYSA-N
Mol Weight 637.0 g/mol
Molecular Formula C39H72O6
Exact Mass 636.53289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcdrqPPFNed
Name [1-(acetoxymethyl)-2-hexadecanoyloxy-ethyl] octadec-9-enoate
Carrier Gas Hydrogen
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Exact Mass 636.532890032 u
Formula C39H72O6
GC Column DB23 (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C39H72O6/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(42)45-37(34-43-36(3)40)35-44-38(41)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h18-19,37H,4-17,20-35H2,1-3H3
InChIKey BFGDEKPANYJEBP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240190905
Molecular Weight 636.999 g/mol
SMILES C(CCCCCCCC=CCCCCCCCC)(=O)OC(COC(CCCCCCCCCCCCCCC)=O)COC(C)=O
SPLASH splash10-0pc0-0091000000-4318a747c45f5c5331f0
Source of Spectrum HRC-19-500-Figure 2-1 (DOI: 10.1002/jhrc.1240190905)
Wiley ID 1911584