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/C22H17BrN2/c1-15-22(14-23)25-21-13-19(17-10-6-3-7-11-17)18(12-20(21)24-15)16-8-4-2-5-9-16/h2-13H,14H2,1H3
SMILES BrCc1nc2cc(c3ccccc3)c(cc2nc1C)c1ccccc1
InChI Key WJXNOSPHYGSISP-UHFFFAOYSA-N
Molecular Formula C22H17BrN2
Exact Mass 389.288 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WJXNOSPHYGSISP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WJXNOSPHYGSISP-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:42:22.257612
MetadataModified 2024-09-07T22:16:53.415409
MetadataPublished 2022-04-17
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
163197175 PubChem
The data in this table is sourced from UniChem at EBI.