Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C34H35N3/c1-33(2,3)25-17-23(21-35-27-13-9-7-10-14-27)31-29(19-25)30-20-26(34(4,5)6)18-24(32(30)37-31)22-36-28-15-11-8-12-16-28/h7-22,37H,1-6H3/b35-21+,36-22+
SMILES CC(c1cc(/C=N/c2ccccc2)c2c(c1)c1cc(cc(c1[nH]2)/C=N/c1ccccc1)C(C)(C)C)(C)C
InChI Key BGMZPQLEBRBTKE-JTOYJDTJSA-N
Exact Mass 485.662 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BGMZPQLEBRBTKE-JTOYJDTJSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/BGMZPQLEBRBTKE-JTOYJDTJSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-19
Related Molecule
  • nfdi4chem-mol6839 (Unknown Molecule)
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-R118A

    date : 20240725

    starting time : 15.28 h

    label : FAS-346

    id : 317894

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

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