Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C8H16Br2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
SMILES	BrCCOCCOCCOCCBr
InChI Key	IJFMWHWXEBUOKR-UHFFFAOYSA-N
Molecular Formula	C8H16Br2O3
Exact Mass	320.019 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IJFMWHWXEBUOKR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IJFMWHWXEBUOKR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:04:38.971488
MetadataModified	2024-09-07T23:58:22.308968
MetadataPublished	2022-12-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.047.202D	Nikkaji
ZINC000097945824	ZINC
DTXSID50341319	EPA CompTox Dashboard
HY-141373	MedChemExpress
CB42517924	ChemicalBook
572269	PubChem
SCHEMBL2077715	SureChEMBL
15024656	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.