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/C16H16Br2/c1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h3-12H,1-2H3
SMILES CC(c1ccc(cc1)c1ccc(cc1)C(Br)C)Br
InChI Key ODZOSFCOFAJHHG-UHFFFAOYSA-N
Molecular Formula C16H16Br2
Exact Mass 368.106 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ODZOSFCOFAJHHG-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ODZOSFCOFAJHHG-UHFFFAOYSA-N/CHMO0000593
Version
Author Yannick Matt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:40:15.256672
MetadataModified 2024-09-07T18:39:01.912295
MetadataPublished 2020-08-26
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL9510147 SureChEMBL
67864895 PubChem
The data in this table is sourced from UniChem at EBI.