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Bis(octadecanoyl) tetrachlorocatechol ester
SpectraBase Compound ID 22erztO6NKy
InChI InChI=1S/C42H70Cl4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(47)49-41-39(45)37(43)38(44)40(46)42(41)50-36(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey KDFOTIXAQXWOLU-UHFFFAOYSA-N
Mol Weight 780.8 g/mol
Molecular Formula C42H70Cl4O4
Exact Mass 778.402822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36hmD2DvgJx
Name Bis(octadecanoyl) tetrachlorocatechol ester
Comments Less than 3 mono-isotopic peaks
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Formula C42H70Cl4O4
InChI InChI=1S/C42H70Cl4O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(47)49-41-39(45)37(43)38(44)40(46)42(41)50-36(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey KDFOTIXAQXWOLU-UHFFFAOYSA-N
Molecular Weight 780.830 g/mol
SMILES c1(c(c(Cl)c(c(c1Cl)Cl)Cl)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-014i-0090020000-443f6c8634dbf4df1600
Source of Spectrum F-48-4433-7
Synonyms 2,3,4,5-tetrachloro-6-(stearoyloxy)phenyl stearate
Wiley ID 1416857