Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H12IN/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6,11H,2,7H2,1H3
SMILES CCCNc1ccccc1I
InChI Key KPNZEUINWRAIER-UHFFFAOYSA-N
Molecular Formula C9H12IN
Exact Mass 261.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KPNZEUINWRAIER-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KPNZEUINWRAIER-UHFFFAOYSA-N/CHMO0000595
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-01-16
Related Molecule
  • 2-iodo-N-propylaniline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28977985 PubChem
    SCHEMBL2170909 SureChEMBL
    The data in this table is sourced from UniChem at EBI.