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Details of Octane, n-

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Role	Analyte
name	Octane, n-
MPIMP ID	A000424
isotopomer	ambient
formula	C8H18
molecular mass	114.229
monoisotopic mass	114.14085
InChI
InChIKey
substructure TMS	0
substructure TBS	0
substructure H3ON	0
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278f65fabe-99a3-4742-b22b-15da3b96fd3e%27)

Synonyms of Octane, n-

property	value
synonym	n-Octane
synonym	Octane
2 synonym(s)

Metabolite mapped to Octane, n-

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

Reference spectra of Octane, 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 8/9/2011 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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