Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H17N3/c1-2-12-21-17(5-1)15-8-10-16(11-9-15)20(18-6-3-13-22-18)19-7-4-14-23-19/h1-14,20,22-23H
SMILES c1ccc(nc1)c1ccc(cc1)C(c1[nH]ccc1)c1[nH]ccc1
InChI Key ILSHJPHOTBMRGU-UHFFFAOYSA-N
Molecular Formula C20H17N3
Exact Mass 299.369 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ILSHJPHOTBMRGU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ILSHJPHOTBMRGU-UHFFFAOYSA-N/CHMO0000593
Version
Author Michael Rotter
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-21
Related Molecule
  • 2-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]pyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Aug11-2024-braese

    Date : 20240811

    Starting time : 0.06 h

    label : MRO-42

    id : 130620

    Solvent used for referencing : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    172643326 pubchem
    The data in this table is sourced from UniChem at EBI.