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Reference substances

Reference substances

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IUPAC name:
isotridecyl 3,5,5-trimethylhexanoate

Inventory

EC number:
261-675-7
EC name:
Isotridecyl 3,5,5-trimethylhexanoate
CAS number:
59231-37-7
CAS number:
59231-37-7
Synonyms
Names:
Hexanoic acid, 3,5,5-trimethyl-, isotridecyl ester
Identifier:
IUPAC name
11-methyldodecyl 3,5,5-trimethylhexanoate

Molecular and structural information

Molecular formula:
C22H44O2
Molecular weight:
340.584
SMILES notation:
CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
InChl:
InChI=1/C22H44O2/c1-19(2)15-13-11-9-7-8-10-12-14-16-24-21(23)17-20(3)18-22(4,5)6/h19-20H,7-18H2,1-6H3
Structural formula:
Chemical structure

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