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Reference substances

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Inventory

EC number:
306-084-8
EC name:
Fatty acids, C16-18, isotridecyl esters
CAS number:
95912-88-2
CAS number:
95912-88-2

Synonyms

Molecular and structural information

Molecular formula:
C29H58O2 and C31H62O2
Molecular weight:
438.78 - 466.83
SMILES notation:
Example for SMILES code:
CCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCC
and
CCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCCCCCCC
InChl:
Example for InChI:
InChI=1/C29H58O2/c1-4-6-8-10-12-14-15-16-17-19-21-23-25-27-29(30)31-28(3)26-24-22-20-18-13-11-9-7-5-2/h28H,4-27H2,1-3H3
and
InChI=1/C31H62O2/c1-4-6-8-10-12-14-15-16-17-18-19-21-23-25-27-29-31(32)33-30(3)28-26-24-22-20-13-11-9-7-5-2/h30H,4-29H2,1-3H3
Structural formula:
Chemical structure

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