Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C36H39Br3/c1-22(2)34(37)28-13-7-25(8-14-28)31-19-32(26-9-15-29(16-10-26)35(38)23(3)4)21-33(20-31)27-11-17-30(18-12-27)36(39)24(5)6/h7-24,34-36H,1-6H3
SMILES BrC(c1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C(C(C)C)Br)c1ccc(cc1)C(C(C)C)Br)C(C)C
InChI Key AAFJWSUJJWIJEW-UHFFFAOYSA-N
Molecular Formula C36H39Br3
Exact Mass 711.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AAFJWSUJJWIJEW-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AAFJWSUJJWIJEW-UHFFFAOYSA-N/CHMO0000595
Version
Author Isabelle Wessely
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1,3,5-tris[4-(1-bromo-2-methylpropyl)phenyl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573656 pubchem
    The data in this table is sourced from UniChem at EBI.