Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H18N4/c15-7-10-18(11-13-5-1-3-8-16-13)12-14-6-2-4-9-17-14/h1-6,8-9H,7,10-12,15H2
SMILES NCCN(Cc1ccccn1)Cc1ccccn1
InChI Key PLMFCAGWTCKBCA-UHFFFAOYSA-N
Molecular Formula C14H18N4
Exact Mass 242.320 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PLMFCAGWTCKBCA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PLMFCAGWTCKBCA-UHFFFAOYSA-N/CHMO0000593
Version
Author Raphael Levy
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-28
Related Molecule
  • N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2023-07-11

    Starting time : 12:35:07 UTC

    Creator : Nicole Jung

    label : MEG-25

    id : 135389

    Solvent used for referencing : CDCl3

    temperature : 297.9759 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Name : TopSpin

    Version : 3.6.2

    Data-Source Molecule ID Data-Source
    10890081 PubChem
    DTXSID90447324 EPA CompTox Dashboard
    CB52747120 ChemicalBook
    J848.601H Nikkaji
    SCHEMBL57060 SureChEMBL
    15937157 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.