Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
SMILES O=c1cccccc1
InChI Key QVWDCTQRORVHHT-UHFFFAOYSA-N
Exact Mass 106.122 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVWDCTQRORVHHT-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QVWDCTQRORVHHT-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:19:34.783400
MetadataModified 2024-09-23T09:21:56.813587
MetadataPublished 2024-02-12
Related Molecule
  • cyclohepta-2,4,6-trien-1-one
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    temperature : 300.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    title : SVS-3710

    date : 20240208

    starting time : 14.45 h

    instrument : spect

    label : CCP-3540

    id : 294453

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    492126 eMolecules
    CB8724528 ChemicalBook
    14769279 PubChem: Thomson Pharma
    SCHEMBL316824 SureChEMBL
    539-80-0 ACToR
    PD158365 ProbesDrugs
    32500 Brenda
    95275 Brenda
    MCULE-5628531135 Mcule
    CO48X7SUFH FDA SRS
    TROPON CCDC
    J99.871K Nikkaji
    ZINC000002034873 ZINC
    DTXSID60202169 EPA CompTox Dashboard
    10881 PubChem
    10015920 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.