Dataset

Quinine.proton

Chemical Info

InChI	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
SMILES	C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)C1=CC=NC2=C1C=C(OC)C=C2
InChI Key	LOUPRKONTZGTKE-WZBLMQSHSA-N
Molecular Formula	C20H24N2O2
Exact Mass	324.400 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p31.s184.d789
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D789
Version
Author	Anna Rudo, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker
Maintainer
Language	english
MetadataCreated	2024-04-22T15:51:55.185260
MetadataModified	2024-04-22T15:51:55.185265
MetadataPublished	2023-12-21 14:19:30

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H NMR spectrum by dimensionality : 1 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 298 K magnetic field strength : 14.095010340939984 Tesla number of scans : 1 scans nuclear magnetic resonance pulse sequence : zg Spectral Width : 10.0138069045778 number of data points : 5 points relaxation time measurement : 1 seconds