Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H21N3/c1-4-5-8-13-11-18-17-16(12(2)3)19-14-9-6-7-10-15(14)20(13)17/h6-7,9-12H,4-5,8H2,1-3H3
SMILES CCCCc1cnc2n1c1ccccc1nc2C(C)C
InChI Key AFQHYVRVQPQNNN-UHFFFAOYSA-N
Molecular Formula C17H21N3
Exact Mass 267.369 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AFQHYVRVQPQNNN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AFQHYVRVQPQNNN-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 1-butyl-4-propan-2-ylimidazo[1,2-a]quinoxaline
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162623393 PubChem
    The data in this table is sourced from UniChem at EBI.