Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H13NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-9,11,15H,10H2
SMILES O=Cc1ccc(cc1)NCc1ccccc1
InChI Key ZXNGWGZCPWDZJD-UHFFFAOYSA-N
Molecular Formula C14H13NO
Exact Mass 211.259 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZXNGWGZCPWDZJD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ZXNGWGZCPWDZJD-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-28
Related Molecule
  • 4-(benzylamino)benzaldehyde
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL511052 SureChEMBL
    16521342 PubChem: Thomson Pharma
    11424382 PubChem
    DTXSID90465427 EPA CompTox Dashboard
    J3.620.153C Nikkaji
    The data in this table is sourced from UniChem at EBI.