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/h2-8H,1H3/b6-2+
SMILES C/C=C/c1ccccc1
InChI Key QROGIFZRVHSFLM-QHHAFSJGSA-N
Molecular Formula C9H10
Exact Mass 118.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QROGIFZRVHSFLM-QHHAFSJGSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QROGIFZRVHSFLM-QHHAFSJGSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-21
Related Molecule
  • [(E)-prop-1-enyl]benzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:229144 chebi
    CHEMBL506013 chembl
    28967 surechembl
    252325 pubchem
    A5S9N1785O fdasrs
    109673 brenda
    219295 brenda
    36213 brenda
    DTXSID101026543 comptox
    Molport-001-784-274 molport
    The data in this table is sourced from UniChem at EBI.