Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2
SMILES Clc1ccncc1Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key PJZJOOPXWQDBLS-UHFFFAOYSA-N
Molecular Formula C21H19ClN2
Exact Mass 334.842 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJZJOOPXWQDBLS-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PJZJOOPXWQDBLS-UHFFFAOYSA-N/CHMO0000593
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-23
Related Molecule
  • 4-chloro-N-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridin-3-amine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Dec16-2023-braese

    date : 20231216

    starting time : 12.19 h

    label : XQ-377

    id : 108132

    Solvent : DMSO

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

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