Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H11N3O/c1-2-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,2,7H2,1H3
SMILES CCCn1nnc2c(c1=O)cccc2
InChI Key URTNYDOSUYKMJN-UHFFFAOYSA-N
Molecular Formula C10H11N3O
Exact Mass 189.214 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/URTNYDOSUYKMJN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/URTNYDOSUYKMJN-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-08
Related Molecule
  • 3-propyl-1,2,3-benzotriazin-4-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1405948 ChEMBL
    MCULE-4124033960 Mcule
    ZINC000000482075 ZINC
    902501 PubChem
    8241995 eMolecules
    The data in this table is sourced from UniChem at EBI.