Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H11N5/c9-7-8(12-5-1-3-10-12)13-6-2-4-11-13/h1-6,8H,7,9H2
SMILES NCC(n1cccn1)n1cccn1
InChI Key PFBKJCSJBZOEJW-UHFFFAOYSA-N
Molecular Formula C8H11N5
Exact Mass 177.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PFBKJCSJBZOEJW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PFBKJCSJBZOEJW-UHFFFAOYSA-N/CHMO0000595
Version
Author Fabian Fink
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-03
Related Molecule
  • 2,2-di(pyrazol-1-yl)ethanamine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J2.332.496B Nikkaji
    68529237 PubChem
    SCHEMBL3148385 SureChEMBL
    The data in this table is sourced from UniChem at EBI.