Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H14N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h7-8H,2-5H2,1H3,(H,11,12)
SMILES O=C1NC2CCCCC2N=C1C
InChI Key JMGVYJTUNKOEAL-UHFFFAOYSA-N
Molecular Formula C9H14N2O
Exact Mass 166.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JMGVYJTUNKOEAL-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/JMGVYJTUNKOEAL-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-07-30
Related Molecule
  • 3-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91618481 pubchem
    The data in this table is sourced from UniChem at EBI.