Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
SMILES C=CCc1ccccc1
InChI Key HJWLCRVIBGQPNF-UHFFFAOYSA-N
Molecular Formula C9H10
Exact Mass 118.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HJWLCRVIBGQPNF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/HJWLCRVIBGQPNF-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-21
Related Molecule
  • prop-2-enylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL501879 chembl
    2035927 surechembl
    21274 surechembl
    833722 surechembl
    9309 pubchem
    3VT7C9MEQ9 fdasrs
    GUNLIK CCDC
    224799 brenda
    225200 brenda
    263990 brenda
    32143 brenda
    43360 brenda
    Molport-000-150-899 molport
    The data in this table is sourced from UniChem at EBI.