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/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
SMILES Brc1ccc2c(c1)c1cc(Br)ccc1[nH]2
InChI Key FIHILUSWISKVSR-UHFFFAOYSA-N
Molecular Formula C12H7Br2N
Exact Mass 324.999 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0000593
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:52:16.687686
MetadataModified 2024-09-07T22:24:48.189618
MetadataPublished 2022-06-24
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
274874 PubChem
88870 NMRShiftDB
DTXSID60298163 EPA CompTox Dashboard
J81.276E Nikkaji
MCULE-7712492282 Mcule
ZINC000000120197 ZINC
MASBUE CCDC
14874929 PubChem: Thomson Pharma
SCHEMBL38602 SureChEMBL
6825-20-3 ACToR
492668 eMolecules
CHEMBL5075756 ChEMBL
CB3430228 ChemicalBook
The data in this table is sourced from UniChem at EBI.