Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-11-7-6-10-15-9-5-4-8-14/h15H,4-7,9-11H2,1-3H3,(H,16,17)
SMILES	N#CCCCNCCCCNC(=O)OC(C)(C)C
InChI Key	LLQSSCVUQVINBV-UHFFFAOYSA-N
Molecular Formula	C13H25N3O2
Exact Mass	255.357 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLQSSCVUQVINBV-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/LLQSSCVUQVINBV-UHFFFAOYSA-N/CHMO0000593
Version
Author	Michael Mertens
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:56:02.421651
MetadataModified	2025-01-29T16:47:47.542096
MetadataPublished	2024-12-03
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 297.9 K PULPROG : zg30 number of scans : 16 scans Title : Mertens Date : 20240126 Starting time : 14.32 h instrument : spect label : MWM-63 id : 128166 Solvent used for referencing : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
ZINC000219552063	ZINC
85975644	PubChem
The data in this table is sourced from UniChem at EBI.