Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
SMILES Cc1cc(C)c(c(c1)C)N
InChI Key KWVPRPSXBZNOHS-UHFFFAOYSA-N
Molecular Formula C9H13N
Exact Mass 135.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWVPRPSXBZNOHS-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/KWVPRPSXBZNOHS-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 2,4,6-trimethylaniline
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    title : FAS-MesNU2

    date : 20240727

    starting time : 8.19 h

    label : CCP-3578

    id : 318917

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:82545 chebi
    139002 surechembl
    6913 pubchem
    JALJUC CCDC
    YIR5CRL5BG fdasrs
    Molport-000-871-479 molport
    The data in this table is sourced from UniChem at EBI.