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/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
SMILES Cc1ccc(cc1)I
InChI Key UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula C7H7I
Exact Mass 218.035 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDHAWRUAECEBHC-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/UDHAWRUAECEBHC-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 1-iodo-4-methylbenzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J43.527I Nikkaji
    DTXSID4060785 EPA CompTox Dashboard
    ZINC000001003750 ZINC
    ITOLEN CCDC
    CB0277912 ChemicalBook
    CB3427714 ChemicalBook
    10008683 NMRShiftDB
    G75KCN1AM8 FDA SRS
    MCULE-7374554905 Mcule
    SCHEMBL158 SureChEMBL
    624-31-7 ACToR
    14773479 PubChem: Thomson Pharma
    12207 PubChem
    488322 eMolecules
    XQM PDBe
    The data in this table is sourced from UniChem at EBI.