Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H15NO/c1-2-10-17-16(8-1)9-7-13-18(17)23-19-11-3-5-14-21(19)24-22-15-6-4-12-20(22)23/h1-15H
SMILES c1ccc2c(c1)Oc1c(N2c2cccc3c2cccc3)cccc1
InChI Key WXBQPLNOHBEVJJ-UHFFFAOYSA-N
Molecular Formula C22H15NO
Exact Mass 309.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXBQPLNOHBEVJJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WXBQPLNOHBEVJJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-06-28
Related Molecule
  • 10-naphthalen-1-ylphenoxazine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-R35-A

    date : 20240422

    starting time : 14.34 h

    label : FAS-88

    id : 116414

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    18770825 surechembl
    30867065 surechembl
    129057455 pubchem
    POJBEZ CCDC
    The data in this table is sourced from UniChem at EBI.