Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
SMILES C#Cc1ccc(cc1)C(=O)O
InChI Key SJXHLZCPDZPBPW-UHFFFAOYSA-N
Molecular Formula C9H6O2
Exact Mass 146.143 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJXHLZCPDZPBPW-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/SJXHLZCPDZPBPW-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-11
Related Molecule
  • 4-ethynylbenzoic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    31600616 eMolecules
    SCHEMBL40299 SureChEMBL
    16178335 PubChem: Thomson Pharma
    589706 PubChem
    J514.157E Nikkaji
    ZINC000000379054 ZINC
    CB3430662 ChemicalBook
    DTXSID90343433 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.