Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H12N2O2/c21-11-15-6-2-8-17(19-15)13-4-1-5-14(10-13)18-9-3-7-16(12-22)20-18/h1-12H
SMILES O=Cc1cccc(n1)c1cccc(c1)c1cccc(n1)C=O
InChI Key AANJUNAVXMBOJA-UHFFFAOYSA-N
Exact Mass 288.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AANJUNAVXMBOJA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AANJUNAVXMBOJA-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-12T14:48:58Z
Related Molecule
  • nfdi4chem-mol5385 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2022-05-23

    Starting time : 14:20:21 UTC

    Creator : Christine Charlotte Müller

    label : CMU-40

    id : 138385

    Solvent used for referencing : CDCl3

    temperature : 296.86 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Name : Parameter file, TOPSPIN Version 2.1

    Version : Parameter file, TOPSPIN Version 2.1

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