Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H12IN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
SMILES Ic1ccccc1NCc1ccccc1
InChI Key OJTCPNVRJOFUKT-UHFFFAOYSA-N
Molecular Formula C13H12IN
Exact Mass 309.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OJTCPNVRJOFUKT-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/OJTCPNVRJOFUKT-UHFFFAOYSA-N/CHMO0000595
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-03
Related Molecule
  • N-benzyl-2-iodoaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL2320795 SureChEMBL
    15023885 PubChem: Thomson Pharma
    J1.438.819B Nikkaji
    DTXSID20434661 EPA CompTox Dashboard
    ZINC000020360842 ZINC
    10040964 PubChem
    The data in this table is sourced from UniChem at EBI.