Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C16H14Br2/c17-15-9-11-1-2-12-4-6-14(16(18)10-12)8-7-13(15)5-3-11/h3-6,9-10H,1-2,7-8H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)c(c3)Br
InChI Key YTVHCBMSDDDSSN-UHFFFAOYSA-N
Molecular Formula C16H14Br2
Exact Mass 366.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0001150.1
License URL
Source https://www.chemotion-repository.net/inchikey/YTVHCBMSDDDSSN-UHFFFAOYSA-N/CHMO0001150.1
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 5,12-dibromotricyclo[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 : Feb09-2024

    date : 20240209

    starting time : 10.24 h

    label : HT-72

    id : 116304

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : cosygpppqf

    number of scans : 1 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    VIXHAL CCDC
    J1.879.185D Nikkaji
    20181412 NMRShiftDB
    16051060 PubChem: Thomson Pharma
    10992162 PubChem
    The data in this table is sourced from UniChem at EBI.