Dataset

Quinine.hsqc

Chemical Info

molecular Image

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

Quinine.hsqcHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p31.s184.d788
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D788
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	2024-04-22T15:52:03.572523
MetadataModified	2024-04-22T15:52:03.572529
MetadataPublished	2023-12-21 14:19:30

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 298 K irradiation frequency : 600.13 MHz , 150.902809 MHz magnetic field strength : 14.095010340939984 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp Spectral Width : 10.0138069045778 , 160.055190978169 number of data points : 2 points relaxation time measurement : 1 seconds