Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Information

molecular Image
InChI InChI=1S/C28H22I2/c29-25-13-9-23(10-14-25)27-17-19-1-5-21(27)8-4-20-2-6-22(7-3-19)28(18-20)24-11-15-26(30)16-12-24/h1-2,5-6,9-18H,3-4,7-8H2
SMILES Ic1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)I
InChI Key FNQCIKYPHCWPGB-UHFFFAOYSA-N
Molecular Formula C28H22I2
Exact Mass 612.283 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FNQCIKYPHCWPGB-UHFFFAOYSA-N/CHMO0001150.1
License URL
Source https://www.chemotion-repository.net/inchikey/FNQCIKYPHCWPGB-UHFFFAOYSA-N/CHMO0001150.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 5,11-bis(4-iodophenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    title : Jun10-2024

    date : 20240610

    starting time : 18.15 h

    label : HT-1308

    id : 309745

    Solvent : CD2Cl2

    temperature : 296.7 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

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