Dataset

MS-308.cosy

Chemical Info

InChI	InChI=1S/C22H30N2O3/c1-15(2)20(22(26)27-3)23-21(25)18-14-24(13-16-9-5-4-6-10-16)19-12-8-7-11-17(18)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3,(H,23,25)/t20-/m1/s1
SMILES	COC(=O)[C@H](NC(=O)C1=CN(CC2CCCCC2)C2=CC=CC=C12)C(C)C
InChI Key	ROWZIXRLVUOMCJ-HXUWFJFHSA-N

Data and Resources

• MS-308.cosyHTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p84.s718.d3540
License URL	https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
Source	https://nmrxiv.org/D3540
Version
Author	Eva‐Maria Hubner, Martin G. Schmid, Verina Manojlovic, Daniela Gattringer, Eva‐Maria Pferschy‐Wenzig, Olaf Kunert
Maintainer
Language	english
MetadataCreated	2025-02-03T17:02:26.357176
MetadataModified	2025-02-03T17:02:26.357182
MetadataPublished	2025-01-09 07:49:00
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 1H NMR spectrum by dimensionality : 2 NMR probe : Z116098_0888 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.123 K irradiation frequency : 400.169999999 MHz , 400.169999999 MHz magnetic field strength : 9.39863077686478 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : cosygpmfphpp Spectral Width : 13.1522326699344 , 13.1522326699344 number of data points : 7 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.