Dataset

MS_469.1d

Chemical Info

InChI	InChI=1S/C21H30N2O/c1-2-3-9-14-23-16-17(19-12-7-8-13-20(19)23)15-21(24)22-18-10-5-4-6-11-18/h7-8,12-13,16,18H,2-6,9-11,14-15H2,1H3,(H,22,24)
SMILES	CCCCCN1C=C(CC(=O)NC2CCCCC2)C2=CC=CC=C21
InChI Key	SYYOOLIGHZEOKJ-UHFFFAOYSA-N

Data and Resources

• MS_469.1dHTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p84.s709.d3492
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D3492
Version
Author	Eva‐Maria Hubner, Martin G. Schmid, Verina Manojlovic, Daniela Gattringer, Eva‐Maria Pferschy‐Wenzig, Olaf Kunert
Maintainer
Language	english
MetadataCreated	2025-02-03T17:05:23.355288
MetadataModified	2025-02-03T17:05:23.355294
MetadataPublished	2025-01-09 07:49:00
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : Z125339_0020 (PA TBO 400S1 BB-H/F-D-05 Z FB) Temperature : 298.001 K magnetic field strength : 9.39662869817959 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgpg30 Spectral Width : 236.597836844585 number of data points : 10 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
PD165871	ProbesDrugs
165361915	PubChem
The data in this table is sourced from UniChem at EBI.