Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12BrN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
SMILES Brc1ccccc1N1CCCC1
InChI Key RSEPYQZONPBLLQ-UHFFFAOYSA-N
Molecular Formula C10H12BrN
Exact Mass 226.113 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RSEPYQZONPBLLQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/RSEPYQZONPBLLQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Xuemin Gan
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-09
Related Molecule
  • 1-(2-bromophenyl)pyrrolidine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : Mar20-2024

    Date : 20240321

    Start time : 0 h

    Label : VF-846

    ID : 115455

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 298.0 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    29763197 surechembl
    3975556 surechembl
    13231827 pubchem
    Molport-020-394-116 molport
    The data in this table is sourced from UniChem at EBI.