Dataset

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

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

Chemical Information

Molecular Image
InChI InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
SMILES COC(=O)c1ccc(cc1)C(=O)OC
InChI Key WOZVHXUHUFLZGK-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WOZVHXUHUFLZGK-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/WOZVHXUHUFLZGK-UHFFFAOYSA-N/CHMO0001150
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-12T12:28:47Z
Related Molecule
  • dimethyl benzene-1,4-dicarboxylate
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    date : 2026-04-10

    starting time : 15:28:00 UTC

    creator : Sylvia Vanderheiden-Schroen

    Solvent : CDCl3

    temperature : 297.999887368725 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    CHEBI:156286 chebi
    CHEMBL1870757 chembl
    23600 surechembl
    8441 pubchem
    IKZ2470UNV fdasrs
    DMTPAL CCDC
    DTXSID0020498 comptox
    Dimethyl terephthalate wikipedia
    Molport-001-783-270 molport
    The data in this table is sourced from UniChem at EBI.