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Details of Benzene, 1,3-dichloro-

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Role Analyte
nameBenzene, 1,3-dichloro-
MPIMP IDA102002
isotopomerambient
formulaC6H4Cl2
molecular mass147.001
monoisotopic mass145.96901
InChIInChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKeyZPQOPVIELGIULI-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,022.1
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2746536a91-5c63-4685-94e2-e2fab9c3b34d%27)

Synonyms of Benzene, 1,3-dichloro-

propertyvalue
BRENDA29069
CAS541-73-1
ChEBI IDChEBI:36693
ChEBI ontologyis a dichlorobenzene
ChemSpider ID13857694
MetaCycCPD-10603
PubChem CID10943
PubChem SID92298585
synonym1,3-Dichlorbenzene
synonym1,3-dichlorobenzene
17 synonym(s)

Metabolite mapped to Benzene, 1,3-dichloro-

Reference spectra of Benzene, 1,3-dichloro-

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
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 Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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