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
    9309 PubChem
    15016537 PubChem: Thomson Pharma
    300-57-2 ACToR
    128961-80-8 ACToR
    476234 eMolecules
    CB8853453 ChemicalBook
    DTXSID00861855 EPA CompTox Dashboard
    32143 Brenda
    43360 Brenda
    SCHEMBL21274 SureChEMBL
    10016572 NMRShiftDB
    225200 Brenda
    224799 Brenda
    GUNLIK CCDC
    J24.323J Nikkaji
    ZINC000001561526 ZINC
    CHEMBL501879 ChEMBL
    The data in this table is sourced from UniChem at EBI.