Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H9NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-6H,1H3,(H,10,12)
SMILES O=Cc1ccccc1NC(=O)C
InChI Key OWMJAQBUFVTERI-UHFFFAOYSA-N
Molecular Formula C9H9NO2
Exact Mass 163.173 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OWMJAQBUFVTERI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OWMJAQBUFVTERI-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-14
Related Molecule
  • N-(2-formylphenyl)acetamide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J81.628K Nikkaji
    GACVEP CCDC
    CB41456925 ChemicalBook
    ZINC000001869958 ZINC
    DTXSID40315983 EPA CompTox Dashboard
    6254062 eMolecules
    16238479 PubChem: Thomson Pharma
    SCHEMBL553680 SureChEMBL
    13493-47-5 ACToR
    326664 PubChem
    The data in this table is sourced from UniChem at EBI.