Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
SMILES	NCCN(CCN)CCN
InChI Key	MBYLVOKEDDQJDY-UHFFFAOYSA-N
Exact Mass	146.234 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MBYLVOKEDDQJDY-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MBYLVOKEDDQJDY-UHFFFAOYSA-N/CHMO0000595
Version
Author	Fabian Schönle
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-08-24
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-05-15 Start time : 22:59:55 UTC Creator : Fabian Schönle Label : CCP-3699 ID : 368237 Solvent : DMSO Temperature : 298.004318841692 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin Date : 2025-05-15 Start time : 12:03:55 UTC Creator : Fabian Schönle Label : CCP-3699 ID : 368237 Solvent : CDCl3 Temperature : 297.999228636257 K K Puls programme : zgpg30 Number of scans : 1024 Instrument : Avance NEO 400 Name : TopSpin

Data-Source Molecule ID	Data-Source
CHEBI:30631	chebi
CHEMBL19823	chembl
1062510	surechembl
33394	surechembl
77731	pubchem
3GY3QSG6H5	fdasrs
103705	brenda
50319	brenda
50320	brenda
HMDB0259274	hmdb
Molport-001-789-617	molport
The data in this table is sourced from UniChem at EBI.