Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C18H13N/c1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18/h1-12,19H
SMILES c1ccc2-c3ccccc3-c3c(Nc2c1)cccc3
InChI Key IMXOMGSWKLUAPZ-UHFFFAOYSA-N
Exact Mass 243.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IMXOMGSWKLUAPZ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IMXOMGSWKLUAPZ-UHFFFAOYSA-N/CHMO0001150
Version
Author Janine Haug
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-16
Related Molecule
  • 14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : 2504301345-1-17-jjh21

    date : 20250430

    starting time : 23.17 h

    label : JAH-741

    id : 320661

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.1 K

    PULPROG : cosygpmfppqf.and

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    16387655 PubChem: Thomson Pharma
    SCHEMBL181764 SureChEMBL
    11299519 PubChem
    ZINC000034456269 ZINC
    J403.581J Nikkaji
    QAQQIM CCDC
    The data in this table is sourced from UniChem at EBI.