LBF11109BC01: Difference between revisions

Revision as of 10:00, 25 February 2010

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.


	η 25/D: 1.4596 Cason_Jet al.







Spectral Information
Mass Spectra
UV Spectra	λ max: 210nm, ε max: 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 11: / Line 11: @@
 |Refractive= eta 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}}]]
 |UV Spectra= lambda max: 210nm,  epsilon max: 13160[[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}}]]
-|IR Spectra=C=O: 1704cm^- ^1 , C=C: 1653cm^- ^1 , Methyl: 1379cm^- ^1 [[Reference:Freeman_NK:,J. Am. Chem. Soc.,1953,75,1859|{{RelationTable/GetFirstAuthor|Reference:Freeman_NK:,J. Am. Chem. Soc.,1953,75,1859}}]]
+|IR Spectra=C=O: 1704cm^{-1}, C=C: 1653cm^{-1}, Methyl: 1379cm^{-1}[[Reference:Freeman_NK:,J. Am. Chem. Soc.,1953,75,1859|{{RelationTable/GetFirstAuthor|Reference:Freeman_NK:,J. Am. Chem. Soc.,1953,75,1859}}]]
 |Source=
 |Chemical Synthesis=