Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H9BrO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6H2
SMILES OCC(c1ccccc1)Br
InChI Key QXOPAHUDEPTDQJ-UHFFFAOYSA-N
Molecular Formula C8H9BrO
Exact Mass 201.060 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXOPAHUDEPTDQJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QXOPAHUDEPTDQJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-21
Related Molecule
  • 2-bromo-2-phenylethanol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    578332 PubChem
    J114.026D Nikkaji
    15266192 PubChem: Thomson Pharma
    SCHEMBL606474 SureChEMBL
    The data in this table is sourced from UniChem at EBI.