Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C18H10Br4/c19-15-7-3-1-5-11(15)13-9-18(22)14(10-17(13)21)12-6-2-4-8-16(12)20/h1-10H
SMILES Brc1cc(c(cc1c1ccccc1Br)Br)c1ccccc1Br
InChI Key BRXVFKOIXGTYLP-UHFFFAOYSA-N
Molecular Formula C18H10Br4
Exact Mass 545.888 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BRXVFKOIXGTYLP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/BRXVFKOIXGTYLP-UHFFFAOYSA-N/CHMO0001146
Version
Author Pit Turpel
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-05-11T02:02:05.840687
MetadataModified 2025-05-11T02:07:50.118875
MetadataPublished 2025-05-08
Related Molecule
  • 1,4-dibromo-2,5-bis(2-bromophenyl)benzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    temperature : 300.0 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    title : PIT-11.2b

    date : 20220617

    starting time : 22.01 h

    instrument : spect

    label : PIT-106

    id : 95236

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    23726304 PubChem
    J2.529.475K Nikkaji
    SCHEMBL734096 SureChEMBL
    CB83150863 ChemicalBook
    47209794 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.