Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-5H,8H2
SMILES O=Cc1ccccc1N
InChI Key FXWFZIRWWNPPOV-UHFFFAOYSA-N
Molecular Formula C7H7NO
Exact Mass 121.137 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FXWFZIRWWNPPOV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FXWFZIRWWNPPOV-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-03-14
Related Molecule
  • 2-aminobenzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20163178 NMRShiftDB
    MCULE-3748234668 Mcule
    J6.682F Nikkaji
    ZINC000004202514 ZINC
    DTXSID6060183 EPA CompTox Dashboard
    CB7279021 ChemicalBook
    19910 Brenda
    21400 Brenda
    68255 PubChem
    534800 eMolecules
    529-23-7 ACToR
    EG769PG2AX FDA SRS
    SCHEMBL25505 SureChEMBL
    51723-15-0 ACToR
    15170598 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.