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/c11-9(12)7-3-1-2-5(3)8(10(13)14)6(2)4(1)7/h1-8H,(H,11,12)(H,13,14)
SMILES OC(=O)C1C2C3C1C1C3C2C1C(=O)O
InChI Key HDSCJJVOWIYTSR-UHFFFAOYSA-N
Exact Mass 194.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HDSCJJVOWIYTSR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HDSCJJVOWIYTSR-UHFFFAOYSA-N/CHMO0000595
Version
Author Jean-Marie Lehn
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-05-18T07:35:41Z
Related Molecule
  • tetracyclo[4.2.0.02,5.03,8]octane-4,7-dicarboxylic acid
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-07-07

    Start time : 18:00:23 UTC

    Creator : Sylvia Vanderheiden-Schroen

    Label : SVS-3956

    ID : 375433

    Solvent : DMSO

    Temperature : 298.000516158808 K K

    Puls programme : zgpg30

    Number of scans : 256

    Instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.