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Details of Benzene, hexachloro-

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Role Analyte
nameBenzene, hexachloro-
MPIMP IDA173011
isotopomerambient
formulaC6Cl6
molecular mass284.780
monoisotopic mass281.81312
InChIInChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKeyCKAPSXZOOQJIBF-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,738.95
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27ed10adc2-a7a7-431f-96d9-bec65f8d2c6a%27)

Synonyms of Benzene, hexachloro-

propertyvalue
BRENDA79544
CAS118-74-1
ChEBI IDChEBI:5692
ChEBI ontologyis a chlorobenzenes
ChemSpider ID8067
MAPMANHexachlorobenzene
PubChem CID8370
PubChem SID92298397
synonym1,2,3,4,5,6-hexachlorobenzene
synonymB000151
16 synonym(s)
    of 2    

Metabolite mapped to Benzene, hexachloro-

Reference spectra of Benzene, hexachloro-

replicaentry datedetectionmethodspecies
33/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
3 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 5/21/2012 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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