Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h1-7H/b2-1+
SMILES O=C/C=C/c1ccncc1
InChI Key PEIRJCZXFPMXTI-OWOJBTEDSA-N
Molecular Formula C8H7NO
Exact Mass 133.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PEIRJCZXFPMXTI-OWOJBTEDSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PEIRJCZXFPMXTI-OWOJBTEDSA-N/CHMO0000595
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • (E)-3-pyridin-4-ylprop-2-enal
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Aug09-2024

    Date : 20240810

    Start time : 1.45 h

    Label : CSR-318

    ID : 320366

    Solvent : CD2Cl2

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    1308464 surechembl
    5371936 pubchem
    XEDVUB CCDC
    Molport-008-750-986 molport
    The data in this table is sourced from UniChem at EBI.