Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/PJLMQMBEXPDFCQ-UHFFFAOYSA-N/CHMO0000595
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : LDL-002-D-3

    Date : 20180809

    Start time : 2.42 h

    Label : LDL-16

    ID : 105819

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 302.2 K K

    Puls programme : zgpg30

    Number of scans : 2048

    Instrument : spect

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