LBF11109BC01: Difference between revisions

Revision as of 08:57, 19 December 2008

Upper classes: LB LBF

5-Methyl-2-Undecenoic Acid

Structural Information
	5-Methyl-2-Undecenoic Acid
	5-Methyl-2-Undecenoic Acid

Formula	C12H22O2
Exact Mass	198.16197994799998
Average Mass	198.30187999999998
SMILES	`CCCCCCC(C)CC=CC(O)=O`
Physicochemical Information

	162-163°C/7mmHg Cason_J et al.

	h25/D: 1.4596 Cason_Jet al.








Spectral Information
Mass Spectra
UV Spectra	lmax: 210nm, emax: 13160 Cason_Jet al.
IR Spectra	C=O: 1704cm^-¹, C=C: 1653cm^-¹, Methyl: 1379cm^-¹ Freeman_NK
NMR Spectra
Other Spectra
Chromatograms

Reported Metabolites, References

Biospecies	ID	Compound Name	Reference	Comment
n.a.	LBF11109BC01	See above.	Cason_J et al. 1953
n.a.	LBF11109BC01	See above.	Freeman_NK 1953

@@ Line 5: / Line 5: @@
 |LipidMaps=LMFA01020106
 |SysName=5-Methyl-2-Undecenoic Acid
+|Common Name=&&5-Methyl-2-Undecenoic Acid&&
 |Boiling Point=162-163°C/7mmHg [[Reference:Cason_J:Allinger_NL:Sumrell_G:,J. Org. Chem.,1953,18,850|{{RelationTable/GetFirstAuthor|Reference:Cason_J:Allinger_NL:Sumrell_G:,J. Org. Chem.,1953,18,850}}]]
 |Optical=<FONT FACE="Symbol">h</FONT>25/D: 1.4596 [[Reference:Cason_J:Allinger_NL:Sumrell_G:,J. Org. Chem.,1953,18,850|{{RelationTable/GetFirstAuthor|Reference:Cason_J:Allinger_NL:Sumrell_G:,J. Org. Chem.,1953,18,850}}]]