Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H8Br2N2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H/b16-15+
SMILES	Brc1ccc(cc1)/N=N/c1ccc(cc1)Br
InChI Key	LTPLLZWVPBTAMH-FOCLMDBBSA-N
Molecular Formula	C12H8Br2N2
Exact Mass	340.013 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LTPLLZWVPBTAMH-FOCLMDBBSA-N/NMR/1H/CDCl3/300
License URL
Source	https://www.chemotion-repository.net/inchikey/LTPLLZWVPBTAMH-FOCLMDBBSA-N/NMR/1H/CDCl3/300
Version
Author	Katharina Peschko
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:57:09.441637
MetadataModified	2024-09-07T13:21:52.043181
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000018100532	ZINC
CB62136123	ChemicalBook
1601-98-5	ACToR
16184315	PubChem: Thomson Pharma
AZBNBT	CCDC
SCHEMBL11691771	SureChEMBL
J80.255G	Nikkaji
6194720	eMolecules
The data in this table is sourced from UniChem at EBI.