Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
SMILES CCCC[N+](CCCC)(CCCC)CCCC.[Br-]
InChI Key JRMUNVKIHCOMHV-UHFFFAOYSA-M
Molecular Formula C16H36BrN
Exact Mass 322.368 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JRMUNVKIHCOMHV-UHFFFAOYSA-M/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JRMUNVKIHCOMHV-UHFFFAOYSA-M/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • tetrabutylazanium;bromide
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID4044400 EPA CompTox Dashboard
    CB2965174 ChemicalBook
    CHEMBL60696 ChEMBL
    51993 ChEBI
    CB2447834 ChemicalBook
    CB3347418 ChemicalBook
    CB4355696 ChemicalBook
    55176 Brenda
    SCHEMBL1891 SureChEMBL
    10016928 NMRShiftDB
    MCULE-2428370031 Mcule
    14801484 PubChem: Thomson Pharma
    74236 PubChem
    1643-19-2 ACToR
    VJZ168I98R FDA SRS
    22020579 PubChem
    487182 eMolecules
    The data in this table is sourced from UniChem at EBI.