Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
SMILES	CNc1ccccn1
InChI Key	SVEUVITYHIHZQE-UHFFFAOYSA-N
Molecular Formula	C6H8N2
Exact Mass	108.141 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SVEUVITYHIHZQE-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/SVEUVITYHIHZQE-UHFFFAOYSA-N/CHMO0000604
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:18:38.203953
MetadataModified	2025-01-29T16:11:47.180397
MetadataPublished	2024-11-04
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
20727	PubChem
MCULE-5967125973	Mcule
VONNET	CCDC
DTXSID60196670	EPA CompTox Dashboard
ZINC000000166987	ZINC
J51.330J	Nikkaji
CB9352100	ChemicalBook
SCHEMBL24122390	SureChEMBL
SCHEMBL22421	SureChEMBL
488509	eMolecules
15910265	PubChem: Thomson Pharma
4597-87-9	ACToR
20027710	NMRShiftDB
The data in this table is sourced from UniChem at EBI.