Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClN2O/c1-12-7-4-2-6(3-5-7)8(9)10-11-8/h2-5H,1H3
SMILES COc1ccc(cc1)C1(Cl)N=N1
InChI Key SXAZXNYWEPKNNS-UHFFFAOYSA-N
Molecular Formula C8H7ClN2O
Exact Mass 182.607 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SXAZXNYWEPKNNS-UHFFFAOYSA-N/CHMO0000595
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-(4-methoxyphenyl)diazirine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Feb19-2024

    Date : 20240220

    Start time : 6.29 h

    Label : KT-737

    ID : 296140

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    11665508 pubchem
    The data in this table is sourced from UniChem at EBI.