Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C44H28Br6/c45-37-17-5-31(6-18-37)43(32-7-19-38(46)20-8-32,33-9-21-39(47)22-10-33)29-1-2-30(4-3-29)44(34-11-23-40(48)24-12-34,35-13-25-41(49)26-14-35)36-15-27-42(50)28-16-36/h1-28H
SMILES Brc1ccc(cc1)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)c1ccc(cc1)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)c1ccc(cc1)Br
InChI Key CLFGRQYAWIWCEW-UHFFFAOYSA-N
Molecular Formula C44H28Br6
Exact Mass 1036.117 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CLFGRQYAWIWCEW-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CLFGRQYAWIWCEW-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:28:43.936424
MetadataModified 2024-09-08T00:28:44.058231
MetadataPublished 2023-03-01
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
GESPUR CCDC
J3.156.610J Nikkaji
163681863 PubChem: Thomson Pharma
71600904 PubChem
The data in this table is sourced from UniChem at EBI.