Dataset

y-Conicein[4]

This dataset contains NMR spectra obtained for the sample containing y-Conicein

Chemical Information

molecular Image

InChI	InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3
SMILES	CCCC1=NCCCC1
InChI Key	PQSOVRNZJIENNW-UHFFFAOYSA-N
Molecular Formula	C8H15N
Exact Mass	125.210 g/mol

Data and Resources

y-Conicein[4]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p35.s1287.d5586
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5586
Version
Author	Martin Puidokait, Joachim Graefe, Anne Sehl, Katrin Steinke, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Dieter Sicker, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataPublished	2025-08-28T09:46:39.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
219381	Brenda
ZINC000030727080	ZINC
15264789	PubChem: Thomson Pharma
442632	PubChem
SCHEMBL1760704	SureChEMBL
1604-01-9	ACToR
PHK73QLK4Z	FDA SRS
J7.527B	Nikkaji
10561	ChEBI
60000001	NMRShiftDB
DTXSID00166872	EPA CompTox Dashboard
C10138	KEGG Ligand
The data in this table is sourced from UniChem at EBI.