Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H3BrIN/c6-5-4(7)2-1-3-8-5/h1-3H
SMILES Ic1cccnc1Br
InChI Key FZBHCYSESMFQJL-UHFFFAOYSA-N
Molecular Formula C5H3BrIN
Exact Mass 283.892 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FZBHCYSESMFQJL-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FZBHCYSESMFQJL-UHFFFAOYSA-N/CHMO0000595
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:24:44.896666
MetadataModified 2024-09-08T03:24:44.896671
MetadataPublished 2024-04-30
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
12919113 eMolecules
16450290 PubChem: Thomson Pharma
SCHEMBL1996521 SureChEMBL
11358068 PubChem
ZINC000034498754 ZINC
DTXSID10463506 EPA CompTox Dashboard
J1.272.608B Nikkaji
CB51471110 ChemicalBook
The data in this table is sourced from UniChem at EBI.