Mrv0541 02251513372D          

 27 26  0  0  0  0            999 V2000
    0.4062   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4062   -1.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -0.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0228   -1.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -0.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1206   -2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351   -1.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496   -0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2639   -1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494   -2.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2638   -1.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9784   -0.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782   -2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6928   -1.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    0.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4074   -0.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8364   -0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2652   -0.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5509    0.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8364    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1220    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 20 19  1  0  0  0  0
 17 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <ID>
CHEBI:84062

> <NAME>
nonyl palmitate

> <DEFINITION>
A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of nonan-1-ol.

> <STAR>
3

> <SYNONYM>
nonyl hexadecanoate

> <IUPAC_NAME>
nonyl hexadecanoate

> <FORMULA>
C25H50O2

> <MASS>
382.66330

> <MONOISOTOPIC_MASS>
382.38108

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC

> <INCHI>
InChI=1S/C25H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25(26)27-24-22-20-18-10-8-6-4-2/h3-24H2,1-2H3

> <INCHIKEY>
SDPZWRKQPQDSQW-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1913811

> <PUBMED_CITATION>
15070765

$$$$