Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H10ClN3O/c1-2-5-14-10(15)8-6-7(11)3-4-9(8)12-13-14/h3-4,6H,2,5H2,1H3
SMILES CCCn1nnc2c(c1=O)cc(cc2)Cl
InChI Key HNPUUHPCSYREAP-UHFFFAOYSA-N
Molecular Formula C10H10ClN3O
Exact Mass 223.659 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HNPUUHPCSYREAP-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/HNPUUHPCSYREAP-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-09-24
Related Molecule
  • 6-chloro-3-propyl-1,2,3-benzotriazin-4-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12963517 surechembl
    70810116 pubchem
    DTXSID50744028 comptox
    The data in this table is sourced from UniChem at EBI.