Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H30N6/c1-20(2)16(21(3)4)18-13-14-11-9-10-12-15(14)19-17(22(5)6)23(7)8/h9-12H,13H2,1-8H3
SMILES CN(C(=NCc1ccccc1N=C(N(C)C)N(C)C)N(C)C)C
InChI Key PJLMQMBEXPDFCQ-UHFFFAOYSA-N
Molecular Formula C17H30N6
Exact Mass 318.460 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJLMQMBEXPDFCQ-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/PJLMQMBEXPDFCQ-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-01-15
Related Molecule
  • 2-[2-[[bis(dimethylamino)methylideneamino]methyl]phenyl]-1,1,3,3-tetramethylguanidine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : LDL-002-D-3

    date : 20180809

    starting time : 1.35 h

    label : LDL-16

    id : 105819

    Solvent : chloroform-D1 (CDCl3)

    temperature : 301.4 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    169503088 pubchem
    The data in this table is sourced from UniChem at EBI.