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Details of Undecane, n-

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Role	Analyte
name	Undecane, n-
MPIMP ID	A110003
isotopomer	ambient
formula	C11H24
molecular mass	156.309
monoisotopic mass	156.18780
InChI	InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
InChIKey	RSJKGSCJYJTIGS-UHFFFAOYSA-N
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)	1,098.66
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278e1e4651-06b2-402f-8791-08ce6318ed64%27)

Synonyms of Undecane, n-

property	value
CAS	1120-21-4
ChemSpider ID	13619
MetaCyc	CPD-9289
synonym	n-Undecane
synonym	Undecane
5 synonym(s)

Metabolite mapped to Undecane, n-

metabolite	stereoisomer	isotopomer
Undecane	n-	ambient
1 metabolite(s)

Reference spectra of Undecane, n-

replica	entry date	detection	method	species
1	5/12/2005 12:00:00 AM		M[NIST]
1 spectrum(a)

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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