Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C27H22BrN/c28-26-18-20-5-9-21-8-4-19(6-10-23(26)11-7-20)17-25(21)22-12-14-24(15-13-22)27-3-1-2-16-29-27/h1-4,7-8,11-18H,5-6,9-10H2
SMILES Brc1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)c1ccccn1
InChI Key TVEJSJXJGYPLIY-UHFFFAOYSA-N
Molecular Formula C27H22BrN
Exact Mass 440.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TVEJSJXJGYPLIY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/TVEJSJXJGYPLIY-UHFFFAOYSA-N/CHMO0000595
Version
Author Daniel Knoll
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-12-22
Related Molecule
  • 2-[4-(11-bromo-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)phenyl]pyridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145707048 PubChem
    The data in this table is sourced from UniChem at EBI.