Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H8Br2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,6H2
SMILES BrCC(c1ccccc1)Br
InChI Key SHKKTLSDGJRCTR-UHFFFAOYSA-N
Molecular Formula C8H8Br2
Exact Mass 263.957 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SHKKTLSDGJRCTR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SHKKTLSDGJRCTR-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-21
Related Molecule
  • 1,2-dibromoethylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7145 PubChem
    16035585 PubChem: Thomson Pharma
    CB3232628 ChemicalBook
    J4.677I Nikkaji
    PUE9VR0TBW FDA SRS
    MCULE-3539396712 Mcule
    DTXSID7052735 EPA CompTox Dashboard
    SCHEMBL331173 SureChEMBL
    102921-26-6 ACToR
    485770 eMolecules
    93-52-7 ACToR
    10005887 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.