Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H19N5/c1-5-16(6-2)11-10-12(14-7-13-11)17(8-15-10)9(3)4/h7-9H,5-6H2,1-4H3
SMILES	CCN(c1ncnc2c1ncn2C(C)C)CC
InChI Key	HZSMMBCFOHTBNZ-UHFFFAOYSA-N
Molecular Formula	C12H19N5
Exact Mass	233.313 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source	https://www.chemotion-repository.net/inchikey/HZSMMBCFOHTBNZ-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:33:10.898860
MetadataModified	2024-09-07T11:52:23.515052
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427251	PubChem
The data in this table is sourced from UniChem at EBI.