Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H19N5/c1-5-16(6-2)11-10-12(14-7-13-11)17(8-15-10)9(3)4/h7-9H,5-6H2,1-4H3
SMILES CCN(c1ncnc2c1ncn2C(C)C)CC
InChI Key HZSMMBCFOHTBNZ-UHFFFAOYSA-N
Molecular Formula C12H19N5
Exact Mass 233.313 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • N,N-diethyl-9-propan-2-ylpurin-6-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427251 PubChem
    The data in this table is sourced from UniChem at EBI.