Dataset

one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)

dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H11NO/c1-13-8-2-3-12(13)11-6-4-10(9-14)5-7-11/h2-9H,1H3
SMILES O=Cc1ccc(cc1)c1cccn1C
InChI Key BESALXNQCRZIOQ-UHFFFAOYSA-N
Molecular Formula C12H11NO
Exact Mass 185.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BESALXNQCRZIOQ-UHFFFAOYSA-N/CHMO0000592.1
License URL
Source https://www.chemotion-repository.net/inchikey/BESALXNQCRZIOQ-UHFFFAOYSA-N/CHMO0000592.1
Version
Author Robert Wolf
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-14
Related Molecule
  • 4-(1-methylpyrrol-2-yl)benzaldehyde
    • Field Value
    Measurement Technique one-dimensional nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    83636463 PubChem
    The data in this table is sourced from UniChem at EBI.