About This Item
InChI
1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/i16+1,17+1,18+1,25+1,26+1,27+1,28+1,29+1,30+1,31+1,32+1,33+1,34+1,35+1,36+1,46+1,47+1,48+1,49+1,50+1,51+1,55+1,56+1,57+1
InChI key
PHYFQTYBJUILEZ-LKNQKLGGSA-N
SMILES string
CCCCC[13CH2]CC\[13CH]=[13CH]/[13CH2][13CH2]CCC[13CH2][13CH2][13C](=O)OCC(CO[13C](=O)[13CH2][13CH2]CCC[13CH2][13CH2]\[13CH]=[13CH]/CC[13CH2]CCCCC)O[13C](=O)[13CH2][13CH2]CCC[13CH2][13CH2]\[13CH]=[13CH]/CC[13CH2]CCCCC
isotopic purity
99 atom % 13C
assay
97% (CP)
bp
235-240 °C (lit.)
density
0.931 g/mL at 25 °C
mass shift
M+24
storage temp.
−20°C
Related Categories
Packaging
Storage Class
10 - Combustible liquids
wgk
awg
flash_point_f
Not applicable
flash_point_c
Not applicable
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