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/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H
SMILES Brc1cccc(n1)Br
InChI Key FEYDZHNIIMENOB-UHFFFAOYSA-N
Molecular Formula C5H3Br2N
Exact Mass 236.892 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FEYDZHNIIMENOB-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/FEYDZHNIIMENOB-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:43:38.646446
MetadataModified 2024-09-08T01:43:38.646450
MetadataPublished 2023-10-10
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
D9SBA5R353 FDA SRS
626-05-1 ACToR
499772 eMolecules
14847344 PubChem: Thomson Pharma
DTXSID30211642 EPA CompTox Dashboard
J32.652F Nikkaji
ZINC000000164590 ZINC
CB2299002 ChemicalBook
SCHEMBL3973 SureChEMBL
MCULE-3668591683 Mcule
MolPort-000-146-004 MolPort
12274 PubChem
The data in this table is sourced from UniChem at EBI.