Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
SMILES c1ccc2c(c1)Oc1c(N2)cccc1
InChI Key TZMSYXZUNZXBOL-UHFFFAOYSA-N
Exact Mass 183.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZMSYXZUNZXBOL-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/TZMSYXZUNZXBOL-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-01
Related Molecule
  • 10H-phenoxazine
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : FAS-10H-Phenoxazine

    date : 20240525

    starting time : 9.05 h

    label : FAS-126

    id : 117351

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : hmbcgpndqf

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:94057 chebi
    CHEMBL276850 chembl
    29355714 surechembl
    6310178 surechembl
    7862 surechembl
    67278 pubchem
    C2ZWT499SG fdasrs
    PD131184 probes_and_drugs
    VANVAL CCDC
    161771 brenda
    HMDB0256415 hmdb
    Molport-002-474-840 molport
    50012827 bindingdb
    The data in this table is sourced from UniChem at EBI.