Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
SMILES CC1N(Cc2ccccc2)c2ccccc2-n2c1nnn2
InChI Key LALMBJBFSDHMPC-UHFFFAOYSA-N
Exact Mass 277.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LALMBJBFSDHMPC-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LALMBJBFSDHMPC-UHFFFAOYSA-N/CHMO0000595
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • 5-benzyl-4-methyl-4H-tetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877818 pubchem
    The data in this table is sourced from UniChem at EBI.