Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C31H42N4.2BrH/c1-22(2)26-11-9-12-27(23(3)4)30(26)34-17-15-32(20-34)19-33-16-18-35(21-33)31-28(24(5)6)13-10-14-29(31)25(7)8;;/h9-18,20-25H,19H2,1-8H3;2*1H/q+2;;/p-2
SMILES CC(c1cccc(c1n1cc[n+](c1)C[n+]1ccn(c1)c1c(cccc1C(C)C)C(C)C)C(C)C)C.[Br-].[Br-]
InChI Key ZZGWEIDPDBDPOH-UHFFFAOYSA-L
Molecular Formula C31H42Br2N4
Exact Mass 630.500 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZZGWEIDPDBDPOH-UHFFFAOYSA-L/NMR/1H/DMSO/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZZGWEIDPDBDPOH-UHFFFAOYSA-L/NMR/1H/DMSO/300.1
Version
Author Alexander Maier
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-09-25
Related Molecule
  • 1-[2,6-di(propan-2-yl)phenyl]-3-[[3-[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]methyl]imidazol-3-ium;dibromide
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25285987 surechembl
    78198750 pubchem
    Molport-046-932-301 molport
    The data in this table is sourced from UniChem at EBI.