Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C42H48Br4/c1-25(2)39(43)33-17-9-29(10-18-33)37(30-11-19-34(20-12-30)40(44)26(3)4)38(31-13-21-35(22-14-31)41(45)27(5)6)32-15-23-36(24-16-32)42(46)28(7)8/h9-28,39-42H,1-8H3
SMILES BrC(c1ccc(cc1)/C(=C(\c1ccc(cc1)C(C(C)C)Br)/c1ccc(cc1)C(C(C)C)Br)/c1ccc(cc1)C(C(C)C)Br)C(C)C
InChI Key AOVIKWHAYNYASL-UHFFFAOYSA-N
Molecular Formula C42H48Br4
Exact Mass 872.447 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AOVIKWHAYNYASL-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/AOVIKWHAYNYASL-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-08-26
Related Molecule
  • 1-(1-bromo-2-methylpropyl)-4-[1,2,2-tris[4-(1-bromo-2-methylpropyl)phenyl]ethenyl]benzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    154573667 pubchem
    The data in this table is sourced from UniChem at EBI.