Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H13N5O2/c1-25-18(24)13-8-6-12(7-9-13)16-11-23(22-21-16)17-10-19-14-4-2-3-5-15(14)20-17/h2-11H,1H3
SMILES COC(=O)c1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2
InChI Key FEZUXVAXRREZEP-UHFFFAOYSA-N
Molecular Formula C18H13N5O2
Exact Mass 331.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FEZUXVAXRREZEP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FEZUXVAXRREZEP-UHFFFAOYSA-N/CHMO0000593
Version
Author Chloé Liagre
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • methyl 4-(1-quinoxalin-2-yltriazol-4-yl)benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623368 pubchem
    The data in this table is sourced from UniChem at EBI.