Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• chmo0000595

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/FIHILUSWISKVSR-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-10-22
Related Molecule

Field	Value
Measurement Technique	CHMO:0000595
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.