Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H21N5O/c1-2-3-4-5-6-9-12-22-16-15-18-19-20-21(15)14-11-8-7-10-13(14)17-16/h7-8,10-11H,2-6,9,12H2,1H3
SMILES CCCCCCCCOc1nc2ccccc2n2c1nnn2
InChI Key BMHZNDOQSWQSHE-UHFFFAOYSA-N
Exact Mass 299.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BMHZNDOQSWQSHE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BMHZNDOQSWQSHE-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-17
Related Molecule
  • 4-octoxytetrazolo[1,5-a]quinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172877833 pubchem
    The data in this table is sourced from UniChem at EBI.