Dataset

Tetrekis(2-chlorethyl) dichloroisopentyldiphosphate

Chemical Info

InChI	InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2
SMILES	C(CCl)OP(=O)(OCCCl)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl
InChI Key	ZGHUDSLVQAGWEY-UHFFFAOYSA-N
Molecular Formula	C13H24Cl6O8P2
Exact Mass	579.908 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118803
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:37:04.443060
MetadataModified	2025-02-08T18:47:03.445650
MetadataPublished	2021-08-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB9919893	ChemicalBook
122728-21-6	ACToR
38051-10-4	ACToR
92310	PubChem
J261.291G	Nikkaji
ZINC000095803363	ZINC
6LVB71K8TQ	FDA SRS
SCHEMBL340340	SureChEMBL
DTXSID8028000	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.