Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H21FN6/c1-12(2)24(13(3)4)22-21-17-15(9-19)10-20-23(17)11-14-5-7-16(18)8-6-14/h5-8,10,12-13H,11H2,1-4H3/b22-21+
SMILES N#Cc1cnn(c1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)F
InChI Key HEZWXNUXEKJBQT-QURGRASLSA-N
Molecular Formula C17H21FN6
Exact Mass 328.387 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HEZWXNUXEKJBQT-QURGRASLSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HEZWXNUXEKJBQT-QURGRASLSA-N/CHMO0000595
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 5-[(E)-[di(propan-2-yl)amino]diazenyl]-1-[(4-fluorophenyl)methyl]pyrazole-4-carbonitrile
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : NiW-c1241.1

    date : 20190823

    starting time : 12.50 h

    label : SGV-2606

    id : 104385

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zgpg30

    number of scans : 512 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.