Dataset

Triplinone M[103]

This dataset contains NMR spectra obtained for the sample -Triplinone M Nucleus: 1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: 1d Temperature: 298.0643 Observed Frequency: 600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 8 NMR Pulse Sequence: zg Spectral Width: 12.0145670747294 Number of Data Points: 76920 Relaxation Delay: 30 Observed Frequency: 600.232902 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: cosy Temperature: 297.9231 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 16 NMR Pulse Sequence: cosygpqf Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 2048,256 Relaxation Delay: 2 Observed Frequency: 600.23360138,600.23360138 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hsqc Temperature: 298.0353 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 32 NMR Pulse Sequence: hsqcedetgpsisp2.4 Spectral Width: 12.0145650900929,199.553643664195 Number of Data Points: 2048,256 Relaxation Delay: 5 Observed Frequency: 600.23300115,150.939273143 Nucleus: 1H,13C NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: hmbc Temperature: 297.9807 Observed Frequency: 600.23,150.927953546 Magnetic Field Strength: 14.097358968168445 Number of Scans: 32 NMR Pulse Sequence: hmbcgpl2ndqf Spectral Width: 12.0145530755999,250.947551390514 Number of Data Points: 2048,512 Relaxation Delay: 5 Observed Frequency: 600.23360138,150.943046341355 Nucleus: 1H,1H NMR Solvent: MeOD NMR Probe: Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ) NMR Pulse Sequence: noesy Temperature: 298.0059 Observed Frequency: 600.23,600.23 Magnetic Field Strength: 14.097358968168445 Number of Scans: 24 NMR Pulse Sequence: noesyph Spectral Width: 12.0145530755999,12.0030117181785 Number of Data Points: 3604,256 Relaxation Delay: 3 Observed Frequency: 600.23360138,600.23360138

Chemical Information

molecular Image
InChI InChI=1S/C21H24O4/c22-18(11-4-5-13-20-14-7-15-21(24)25-20)16-19(23)12-6-10-17-8-2-1-3-9-17/h1-3,5-10,13,15,19-20,23H,4,11-12,14,16H2/b10-6+,13-5+/t19-,20-/m0/s1
SMILES O=C(CC/C=C/[C@H]1CC=CC(=O)O1)C[C@@H](O)C/C=C/C1=CC=CC=C1
InChI Key AFIPUVFHFZBOPG-TZXKVZDKSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p158.s1613.d7210
License URL https://cdla.dev/permissive-1-0/
Source https://nmrxiv.org/D7210
Version
Author
Maintainer
Language english
MetadataPublished 2026-01-19T08:28:33.000000Z
Related Molecule
  • nfdi4chem-mol1141 (Unknown Molecule)
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    NMR solvent : MeOD

    acquisition nucleus : ['1H', '13C']

    NMR spectrum by dimensionality : 2

    NMR probe : Z150416_0001 (PA BBI 600W2/S4 H&F-BB-D-05 XYZ)

    Temperature : 297.9807 K

    magnetic field strength : 14.097358968168445 Tesla

    number of scans : 32 scans

    nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf

    Spectral Width : [12.0145530755999, 250.947551390514]

    number of data points : [2048, 512] points

    relaxation time measurement : 5 seconds

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