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/C10H8BrN5/c11-9-3-1-8(2-4-9)7-16-6-5-10(14-16)13-15-12/h1-6H,7H2
SMILES [N-]=[N+]=Nc1ccn(n1)Cc1ccc(cc1)Br
InChI Key MPLVWOQSFNIWDU-UHFFFAOYSA-N
Molecular Formula C10H8BrN5
Exact Mass 278.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MPLVWOQSFNIWDU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/MPLVWOQSFNIWDU-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:43:05.672288
MetadataModified 2024-09-07T21:16:39.442701
MetadataPublished 2022-01-10
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
151107773 PubChem
The data in this table is sourced from UniChem at EBI.