Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C25H23NO/c1-27-22-12-13-24-21(15-22)16-25(26-24)23-14-19-7-6-17-2-4-18(5-3-17)8-10-20(23)11-9-19/h2-5,9,11-16,26H,6-8,10H2,1H3
SMILES COc1ccc2c(c1)cc([nH]2)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key RYAJKQRFXWFNAF-UHFFFAOYSA-N
Molecular Formula C25H23NO
Exact Mass 353.456 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RYAJKQRFXWFNAF-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/RYAJKQRFXWFNAF-UHFFFAOYSA-N/CHMO0000599
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 5-methoxy-2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)-1H-indole
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : Feb08-2024

    date : 20240208

    starting time : 9.15 h

    label : KT-700

    id : 293870

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    171392103 pubchem
    The data in this table is sourced from UniChem at EBI.