Dataset

y-Conicein.hmbc

Chemical Info

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

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p35.s227.d1309
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1309
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
MetadataCreated	2024-04-22T15:44:55.635945
MetadataModified	2024-04-22T15:44:55.635950
MetadataPublished	2023-12-21 15:19:13

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : D2O acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080 Temperature : 298 K irradiation frequency : 399.952 MHz , 100.56801 MHz magnetic field strength : 9.3935106991479 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hmbcetgpl2nd.ber Spectral Width : 4.59612966058152 , 200.051016138729 number of data points : 1 points relaxation time measurement : 1 seconds