Dataset

MS-308.cosy

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2025-01-09 07:49:00
Related Molecule
  • methyl (2R)-2-[[1-(cyclohexylmethyl)indole-3-carbonyl]amino]-3-methylbutanoate
    • 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.