Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H9N5O/c17-7-8-6-16(15-14-8)11-5-12-9-3-1-2-4-10(9)13-11/h1-6,17H,7H2
SMILES OCc1nnn(c1)c1cnc2c(n1)cccc2
InChI Key YEBFONFGCJEMAG-UHFFFAOYSA-N
Molecular Formula C11H9N5O
Exact Mass 227.222 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YEBFONFGCJEMAG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YEBFONFGCJEMAG-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • (1-quinoxalin-2-yltriazol-4-yl)methanol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623370 PubChem
    The data in this table is sourced from UniChem at EBI.