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/C28H22I2/c29-25-13-9-23(10-14-25)27-17-19-1-2-20-4-6-22(8-7-21(27)5-3-19)28(18-20)24-11-15-26(30)16-12-24/h3-6,9-18H,1-2,7-8H2
SMILES Ic1ccc(cc1)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc(cc1)I
InChI Key YQTVOHOFVUOTPI-UHFFFAOYSA-N
Molecular Formula C28H22I2
Exact Mass 612.283 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YQTVOHOFVUOTPI-UHFFFAOYSA-N/CHMO0001146.1
License URL
Source https://www.chemotion-repository.net/inchikey/YQTVOHOFVUOTPI-UHFFFAOYSA-N/CHMO0001146.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 5,12-bis(4-iodophenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Jun10-2024

    date : 20240610

    starting time : 21.34 h

    label : HT-1306

    id : 309739

    Solvent : CD2Cl2

    temperature : 297.3 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

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