Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
SMILES CC1(C)c2ccccc2Oc2c1cccc2
InChI Key MTVNAPYHLASOSX-UHFFFAOYSA-N
Molecular Formula C15H14O
Exact Mass 210.271 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/MTVNAPYHLASOSX-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-25
Related Molecule
  • 9,9-dimethylxanthene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-Dimethylxanthan

    date : 20240418

    starting time : 17.19 h

    label : FAS-17

    id : 115908

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    29360424 surechembl
    47009 surechembl
    606997 pubchem
    DTXSID00345781 comptox
    Molport-003-931-326 molport
    The data in this table is sourced from UniChem at EBI.