Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
SMILES COC(=O)c1cccc(c1)C(=O)OC
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
Exact Mass 194.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VNGOYPQMJFJDLV-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VNGOYPQMJFJDLV-UHFFFAOYSA-N/CHMO0000595
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-08
Related Molecule
  • dimethyl benzene-1,3-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-3230324954 Mcule
    10008637 NMRShiftDB
    15088 PubChem
    J7.498E Nikkaji
    GOHRUS CCDC
    DTXSID8027402 EPA CompTox Dashboard
    ZINC000000061511 ZINC
    487023 eMolecules
    14867722 PubChem: Thomson Pharma
    259522 Brenda
    2UY9Y3574K FDA SRS
    SCHEMBL34953 SureChEMBL
    1459-93-4 ACToR
    CHEMBL2010300 ChEMBL
    151192 Brenda
    CB7265116 ChemicalBook
    The data in this table is sourced from UniChem at EBI.