Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
SMILES CCOC(=O)C(C(=O)OCC)C(C)C
InChI Key BYQFBFWERHXONI-UHFFFAOYSA-N
Molecular Formula C10H18O4
Exact Mass 202.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/BYQFBFWERHXONI-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-28
Related Molecule
  • diethyl 2-propan-2-ylpropanedioate
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB2404826 ChemicalBook
    496919 eMolecules
    759-36-4 ACToR
    CB2183215 ChemicalBook
    ZINC000001587764 ZINC
    J26.288I Nikkaji
    DTXSID60226820 EPA CompTox Dashboard
    MCULE-3078468824 Mcule
    20026471 NMRShiftDB
    12966 PubChem
    SCHEMBL335361 SureChEMBL
    The data in this table is sourced from UniChem at EBI.