Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3
SMILES CCCCc1nnn(c1)c1cc(n(n1)Cc1ccccc1)C
InChI Key PKNOMBYYAWYDCG-UHFFFAOYSA-N
Molecular Formula C17H21N5
Exact Mass 295.382 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PKNOMBYYAWYDCG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PKNOMBYYAWYDCG-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 1-(1-benzyl-5-methylpyrazol-3-yl)-4-butyltriazole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : SG-V4011(4-7)

    date : 20231031

    starting time : 14.38 h

    label : SG-3391

    id : 281345

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    170459341 pubchem
    The data in this table is sourced from UniChem at EBI.