Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H12N2O/c17-14-11-7-4-8-15-13(11)12(16-14)9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,16,17)
SMILES O=C1NC(c2c1cccn2)Cc1ccccc1
InChI Key KENDRCSZVFKOPM-UHFFFAOYSA-N
Exact Mass 224.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KENDRCSZVFKOPM-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KENDRCSZVFKOPM-UHFFFAOYSA-N/CHMO0000593
Version
Author Thorsten Bach
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-04-21
Related Molecule
  • nfdi4chem-mol4490 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-03-23

    Starting time : 06:02:07 UTC

    Creator : Philip Freund

    label : PFR-66

    id : 154004

    Solvent used for referencing : CDCl3

    temperature : 303.997 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Name : Parameter file, TOPSPIN Version 3.2

    Version : Parameter file, TOPSPIN Version 3.2

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.