Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C24H20Br2O4/c1-29-23(27)17-7-3-15(4-8-17)21-11-20(14-26)22(12-19(21)13-25)16-5-9-18(10-6-16)24(28)30-2/h3-12H,13-14H2,1-2H3
SMILES BrCc1cc(c(cc1c1ccc(cc1)C(=O)OC)CBr)c1ccc(cc1)C(=O)OC
InChI Key BHYVLCMZDJPYAR-UHFFFAOYSA-N
Molecular Formula C24H20Br2O4
Exact Mass 532.221 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHYVLCMZDJPYAR-UHFFFAOYSA-N/NMR/13C/CDCl3/125
License URL
Source https://www.chemotion-repository.net/inchikey/BHYVLCMZDJPYAR-UHFFFAOYSA-N/NMR/13C/CDCl3/125
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 4-[2,5-bis(bromomethyl)-4-(4-methoxycarbonylphenyl)phenyl]benzoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427281 pubchem
    The data in this table is sourced from UniChem at EBI.