Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI 10.14272/IJFMWHWXEBUOKR-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IJFMWHWXEBUOKR-UHFFFAOYSA-N/CHMO0000630
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-12-07
Related Molecule
  • 1-(2-bromoethoxy)-2-[2-(2-bromoethoxy)ethoxy]ethane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    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.