Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C6H11BrSi/c1-8(2,3)6-4-5-7/h5H2,1-3H3
SMILES BrCC#C[Si](C)(C)C
InChI Key GAPRPFRDVCCCHR-UHFFFAOYSA-N
Molecular Formula C6H11BrSi
Exact Mass 191.141 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GAPRPFRDVCCCHR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/GAPRPFRDVCCCHR-UHFFFAOYSA-N/CHMO0000593
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-29
Related Molecule
  • 3-bromoprop-1-ynyl(trimethyl)silane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-CCP-3778

    date : 20240925

    starting time : 15.46 h

    label : CCP-3598

    id : 326754

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : FAS-CCP-3778

    date : 20240925

    starting time : 15.39 h

    label : CCP-3598

    id : 326754

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    ZINC000169743414 ZINC
    DTXSID80349040 EPA CompTox Dashboard
    J534.042J Nikkaji
    CB1151699 ChemicalBook
    SCHEMBL24235 SureChEMBL
    20026938 NMRShiftDB
    15899425 PubChem: Thomson Pharma
    642589 PubChem
    502776 eMolecules
    The data in this table is sourced from UniChem at EBI.