heteronuclear single quantum coherence (HSQC)

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Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image

InChI	InChI=1S/C12H6Br2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
SMILES	Brc1ccnc2c1ccc1c2nccc1Br
InChI Key	AKZAIDYHEKUXBU-UHFFFAOYSA-N
Exact Mass	337.997 g/mol

Data and Resources

heteronuclear single quantum coherence (HSQC)HTML

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Metadata Information

Field	Value
DOI	10.14272/AKZAIDYHEKUXBU-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/AKZAIDYHEKUXBU-UHFFFAOYSA-N/CHMO0000604
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-24
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	date : 2025-07-31 starting time : 11:18:48 UTC creator : Fabian Schönle label : CCP-3729 id : 379252 Solvent : CDCl3 temperature : 298.059832023316 K PULPROG : hsqcedetgp number of scans : 2 scans instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
2206337	surechembl
11393583	pubchem
DTXSID90464571	comptox
Molport-028-746-350	molport
The data in this table is sourced from UniChem at EBI.