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-KXFIGUGUSA-N
Molecular Formula C9H10
Exact Mass 118.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QROGIFZRVHSFLM-KXFIGUGUSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QROGIFZRVHSFLM-KXFIGUGUSA-N/CHMO0000593
Version
Author Michael Konstantinos Bogdos
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-21
Related Molecule
  • [(Z)-prop-1-enyl]benzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    6218418 eMolecules
    14793725 PubChem: Thomson Pharma
    766-90-5 ACToR
    174893 Brenda
    DTXSID50880652 EPA CompTox Dashboard
    CB2668325 ChemicalBook
    ZINC000067803068 ZINC
    219294 Brenda
    32606 Brenda
    J181.296C Nikkaji
    252324 PubChem
    8NJI11T1B3 FDA SRS
    SCHEMBL335864 SureChEMBL
    The data in this table is sourced from UniChem at EBI.