LBF16000BC09: Difference between revisions

Revision as of 09:00, 12 December 2008

Upper classes: LB LBF

Neostearic Acid

Structural Information
	15,15-Dimethylhexadecanoic Acid
	Neostearic Acid

Formula	C18H36O2
Exact Mass	284.271530396
Average Mass	284.47724
SMILES	`OC(=O)CCCCCCCCCCCCCC(C)(C)C`
Physicochemical Information
	49.8-50.2°C Sobotka_H et al.
	145-153°C/0.05Torr Sobotka_H et al.










Spectral Information
Mass Spectra
UV Spectra
IR Spectra	1704(C=O)cm^-¹, 1455, 1414, 1366cm^-¹ Sobotka_Het al.
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF16000BC09	See above.	Sobotka_H et al. 1950

@@ Line 6: / Line 6: @@
 |SysName=15,15-Dimethylhexadecanoic Acid
 |Common Name=&&Neostearic Acid&&
-|Melting Point=49.8-50.2°C <<7009>>
+|Melting Point=49.8-50.2°C [[Reference:Sobotka_H:Stynler_FE:,J. Am. Chem. Soc.,1950,72,5139|{{RelationTable/GetFirstAuthor|Reference:Sobotka_H:Stynler_FE:,J. Am. Chem. Soc.,1950,72,5139}}]]
-|Boiling Point=145-153°C/0.05Torr <<7009>>
+|Boiling Point=145-153°C/0.05Torr [[Reference:Sobotka_H:Stynler_FE:,J. Am. Chem. Soc.,1950,72,5139|{{RelationTable/GetFirstAuthor|Reference:Sobotka_H:Stynler_FE:,J. Am. Chem. Soc.,1950,72,5139}}]]
-|IR Spectra=1704(C=O)cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>, 1455, 1414, 1366cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP><<7009>>
+|IR Spectra=1704(C=O)cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>, 1455, 1414, 1366cm<SUP><FONT SIZE=-1>-</FONT></SUP><SUP><FONT SIZE=-1>1</FONT></SUP>[[Reference:Sobotka_H:Stynler_FE:,J. Am. Chem. Soc.,1950,72,5139|{{RelationTable/GetFirstAuthor|Reference:Sobotka_H:Stynler_FE:,J. Am. Chem. Soc.,1950,72,5139}}]]
 }}