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Details of Dodecane

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Role Analyte
nameDodecane
MPIMP IDA120001
isotopomerambient
formulaC12H26
molecular mass170.335
monoisotopic mass170.20345
InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeySNRUBQQJIBEYMU-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,200
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%271310facd-f2bf-4fd7-bc20-b21df06ede79%27)

Synonyms of Dodecane

propertyvalue
Beilstein1697175
BRENDA4186
CAS112-40-3
ChEBI IDChEBI:28817
ChEBI ontologyis a alkane
ChemSpider ID7890
MetaCycCPD-9290
Method [J Kopka]non-derivatized
PubChem CID8182
PubChem SID92298337
17 synonym(s)
    of 2    

Metabolite mapped to Dodecane

metabolitestereoisomerisotopomer
Dodecanen- ambient
1 metabolite(s)

Reference spectra of Dodecane

replicaentry datedetectionmethodspecies
116/27/2008 2:33:57 PM VAR5na
126/27/2008 2:15:31 PM VAR5na
22/22/2005 12:00:00 AM M[STR] 
177/23/2012 11:17:04 AM VAR5 
136/27/2008 2:24:36 PM VAR5na
152/3/2011 5:30:46 PM VAR5 
65/12/2005 12:00:00 AM M[NIST] 
1611/3/2010 4:21:15 PM Schomburg_GC_2010 
146/27/2008 2:29:25 PM VAR5na
9 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 Strehmel N., Hummel J.
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