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/C16H14Br2/c17-15-9-11-1-5-13(15)8-4-12-2-6-14(7-3-11)16(18)10-12/h1-2,5-6,9-10H,3-4,7-8H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)cc3Br
InChI Key QDMAXRJHDMKTQH-UHFFFAOYSA-N
Molecular Formula C16H14Br2
Exact Mass 366.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QDMAXRJHDMKTQH-UHFFFAOYSA-N/CHMO0001146.1
License URL
Source https://www.chemotion-repository.net/inchikey/QDMAXRJHDMKTQH-UHFFFAOYSA-N/CHMO0001146.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 5,11-dibromotricyclo[8.2.2.2^{4,7}]hexadeca-1(12),4,6,10,13,15-hexaene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : Jul21-2023

    date : 20230722

    starting time : 9.20 h

    label : HT-71

    id : 116303

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : hsqcedetgpsisp2.3

    number of scans : 4 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    29561995 surechembl
    4612611 surechembl
    5200652 pubchem
    BRPCYP CCDC
    Molport-003-912-308 molport
    The data in this table is sourced from UniChem at EBI.