Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Info

InChI	InChI=1S/C8H11N5/c9-7-8(12-5-1-3-10-12)13-6-2-4-11-13/h1-6,8H,7,9H2
SMILES	NCC(n1cccn1)n1cccn1
InChI Key	PFBKJCSJBZOEJW-UHFFFAOYSA-N
Molecular Formula	C8H11N5
Exact Mass	177.206 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PFBKJCSJBZOEJW-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/PFBKJCSJBZOEJW-UHFFFAOYSA-N/CHMO0001146
Version
Author	Fabian Fink
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:47:00.537743
MetadataModified	2024-09-07T17:26:41.445502
MetadataPublished	2020-04-03

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.332.496B	Nikkaji
68529237	PubChem
SCHEMBL3148385	SureChEMBL
The data in this table is sourced from UniChem at EBI.