About This Item
InChI
1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-/i2+1,5+1,8+1,11+1,14+1,17+1,20+1,23+1,26+1,28+1,31+1,34+1,37+1,40+1,43+1,46+1,49+1,55+1
SMILES string
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)O[13C](=O)[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH3]
InChI key
JFISYPWOVQNHLS-BONIEQRZSA-N
isotopic purity
99 atom % 13C
assay
95% (CP)
form
liquid
mass shift
M+18
storage temp.
−20°C
Related Categories
Packaging
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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