Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H11BrO3/c1-3-14-10(13)7-4-6(2)9(11)8(12)5-7/h4-5,12H,3H2,1-2H3
SMILES CCOC(=O)c1cc(C)c(c(c1)O)Br
InChI Key HJPPCNABHLJUFL-UHFFFAOYSA-N
Molecular Formula C10H11BrO3
Exact Mass 259.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HJPPCNABHLJUFL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HJPPCNABHLJUFL-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • ethyl 4-bromo-3-hydroxy-5-methylbenzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.512.500B Nikkaji
    ZINC000072233513 ZINC
    16072027 PubChem: Thomson Pharma
    SCHEMBL1425675 SureChEMBL
    11010688 PubChem
    The data in this table is sourced from UniChem at EBI.